data_2cqv_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 2cqv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.738 0.224 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.452 ' CG ' HG23 ' A' ' 32' ' ' THR . 6.9 pt20 -134.02 150.86 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.5 97.27 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.79 -24.83 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -121.87 128.64 51.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.1 t80 -166.89 139.64 2.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.73 0.776 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 144.34 53.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -101.83 176.75 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -38.79 114.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -136.48 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -120.12 168.28 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 20' ' ' ARG . 6.1 p -159.27 137.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 18.8 mmt85 -76.89 133.97 39.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 112.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.29 -20.62 25.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 4.0 mm-40 -67.54 -175.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -127.71 123.45 35.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -114.48 155.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -131.92 102.52 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.0 mt -99.39 107.89 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.36 137.89 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.33 90.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -49.98 133.24 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 34.6 m -125.67 140.63 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.452 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.9 t -126.85 152.83 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.44 -122.52 1.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.4 m -134.26 112.78 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.303 . . . . 0.0 111.141 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -73.68 155.52 89.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.11 88.47 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.377 -0.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.421 ' HB ' ' NE2' ' A' ' 35' ' ' GLN . 43.6 mt -136.57 126.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 39' ' ' CYS . 30.7 m -80.53 144.27 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 38' ' ' THR . 2.0 p -146.41 124.02 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.6 m -125.63 141.89 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -107.98 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.38 172.56 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -152.1 132.53 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 47.02 47.38 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 61.3 43.46 10.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -153.19 110.45 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -54.82 130.18 39.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 49' ' ' GLN . 61.0 mt -72.0 144.52 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.46 ' N ' HG21 ' A' ' 48' ' ' ILE . 9.4 pt20 -106.0 122.13 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -57.81 123.1 14.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.6 p -152.4 -175.75 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.75 1.45 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.44 ' CE1' ' HD2' ' A' ' 71' ' ' ARG . 9.6 m170 -112.38 -28.72 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.588 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 34.7 mtp -138.62 111.15 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -107.23 154.66 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 57' ' ' GLU . 95.2 t -137.57 135.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' N ' HG12 ' A' ' 56' ' ' VAL . 8.2 tp10 -123.72 89.71 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -73.71 122.67 22.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 m -143.76 178.29 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -61.94 -63.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -40.45 -34.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 31' ' ' VAL . . . 162.73 -154.33 25.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.526 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -126.56 138.25 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -117.62 146.1 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD22 ' CD1' ' A' ' 48' ' ' ILE . 11.7 tp -132.3 101.16 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -87.33 138.99 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -119.61 98.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.11 145.2 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 51.34 50.1 19.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -36.5 121.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.44 ' HD2' ' CE1' ' A' ' 53' ' ' HIS . 47.8 mtp85 -103.37 163.61 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -31.73 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.67 -31.59 59.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -51.66 -25.18 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.5 t -58.66 121.56 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.85 175.55 34.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.8 t -91.42 128.27 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 2.9 m-85 -97.62 178.3 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.0 m -155.2 115.65 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.3 tp -96.28 111.43 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -96.39 137.57 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.3 105.33 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.14 157.43 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' LEU . 8.0 t30 -166.94 155.01 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ASN . 84.0 tttt -35.86 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' ASN . 96.0 mt -73.55 -74.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 -138.83 3.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 p -160.73 161.82 32.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -154.19 158.31 40.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -148.45 126.39 11.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.53 -179.84 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -153.98 140.8 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.16 135.74 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -91.61 141.63 28.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.85 146.59 49.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 97' ' ' VAL . 64.5 m -137.12 135.48 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.427 ' N ' HG23 ' A' ' 96' ' ' THR . 30.7 t -102.64 131.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.48 122.86 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.762 0.234 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -149.27 146.78 27.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.1 mt -101.03 92.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.68 -26.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -123.03 125.08 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.5 t80 -160.29 139.5 7.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.8 130.44 19.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -91.77 -179.76 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.97 117.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.2 pt20 -138.32 176.53 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -126.15 170.13 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.1 p -158.98 133.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ALA . 7.5 mmt85 -73.63 116.03 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.42 112.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 10.72 31.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.55 176.28 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.4 p -113.83 118.49 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.16 156.89 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -136.42 105.58 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.5 mt -103.55 98.9 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -111.09 131.23 55.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.44 98.78 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -57.78 127.75 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -119.73 141.05 41.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -133.51 148.88 51.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.1 -99.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 90.4 m -148.1 115.05 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.712 0.291 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.507 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.7 mm-40 -79.37 155.33 76.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.0 Cg_endo -69.69 159.96 88.59 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.385 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.16 124.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 39' ' ' CYS . 10.8 m -73.48 148.82 42.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 38' ' ' THR . 63.1 m -144.95 120.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.3 m -129.23 134.24 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.466 ' CE3' HD21 ' A' ' 65' ' ' LEU . 44.0 m95 -106.56 111.87 24.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtm -118.43 173.68 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -153.6 128.17 9.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 54.06 48.04 21.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 mmt-85 58.73 40.98 22.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -152.54 114.53 4.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -51.69 141.32 16.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 49' ' ' GLN . 95.5 mt -83.17 145.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' N ' HG23 ' A' ' 48' ' ' ILE . 16.3 mm-40 -101.12 120.91 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.29 128.87 39.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.4 p -171.44 161.6 6.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -45.89 -27.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -77.93 -41.84 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.0 mtp -135.01 101.12 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -98.72 165.18 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.19 141.27 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.52 82.55 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.425 ' ND2' ' H ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.18 119.81 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 m -142.87 178.51 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.29 -66.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -40.23 -39.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.43 -137.73 4.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -139.65 150.72 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -128.17 154.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 HD21 ' CE3' ' A' ' 41' ' ' TRP . 14.3 tp -131.49 97.22 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 m -88.26 119.27 28.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.6 mt -103.01 117.32 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.492 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.6 mm? -90.83 148.46 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.5 49.26 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.31 105.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -87.06 166.17 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.84 -21.27 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 75' ' ' CYS . 10.5 pt-20 -77.94 -39.99 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -43.15 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.42 ' N ' ' C ' ' A' ' 73' ' ' GLU . 2.0 t -54.34 134.51 45.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.49 -167.57 30.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.12 136.44 47.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.51 161.04 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -141.27 114.35 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 tp -95.41 114.25 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 tp -103.34 127.93 50.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.12 103.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 31.8 mt-10 -106.23 153.98 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.445 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 8.2 p-10 -158.8 -179.11 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -52.78 -47.89 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 86' ' ' LEU . 5.9 mp -62.77 -75.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.04 -136.58 2.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 11.4 p -162.07 169.3 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -152.2 159.81 43.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.4 123.29 11.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.48 173.33 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -146.22 154.34 41.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -158.95 141.99 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -99.31 140.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.9 tp -132.83 151.28 52.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.3 m -140.48 136.74 33.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -104.81 138.86 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.08 126.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.73 0.221 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.453 ' CG ' HG21 ' A' ' 32' ' ' THR . 12.3 pt20 -140.49 156.6 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 mt -108.67 95.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.48 HG12 ' N ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -78.94 -31.88 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.48 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.7 mp0 -123.39 133.51 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 24.3 t80 -168.76 139.42 1.99 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 138.76 38.42 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 50.7 mt-10 -100.24 174.97 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.3 p-10 -34.29 115.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -135.88 176.06 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -122.49 172.4 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 p -160.15 140.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ALA . 13.2 mmt180 -79.92 112.43 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -34.15 110.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.18 11.9 24.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -103.81 176.64 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.5 p -112.67 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.21 148.89 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -130.52 103.91 6.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.3 mt -103.14 98.58 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -105.59 129.48 53.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.5 92.36 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -54.18 130.13 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 m -125.35 141.58 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.453 HG21 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -129.23 157.74 41.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.55 -114.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -138.14 112.73 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.51 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 35.2 mm-40 -75.26 155.15 86.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.583 0.706 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.78 159.51 89.62 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.328 -0.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.1 mt -134.41 120.64 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -68.36 149.07 49.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.7 m -147.91 108.71 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.0 m -118.06 130.95 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -101.25 119.42 38.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mtm -126.16 170.92 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -152.77 122.65 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 64.12 40.75 6.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 63.67 32.36 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 128.7 23.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.82 132.65 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.78 149.97 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -107.61 120.96 43.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.25 132.06 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.3 p -173.9 165.91 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -51.16 -17.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -88.29 -38.97 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.1 mtp -137.07 105.1 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -101.5 165.5 11.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.77 125.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -105.28 77.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.5 ' ND2' ' H ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -68.18 122.49 18.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -152.42 160.55 43.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -40.97 -59.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.04 -40.79 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.82 -134.02 3.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -143.21 137.84 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -123.06 122.37 38.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tp -100.99 102.22 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -92.63 120.59 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.604 ' CG2' ' CE1' ' A' ' 74' ' ' HIS . 46.5 mt -104.08 121.97 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.51 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.3 mm? -93.45 151.3 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 41.3 54.51 3.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -36.78 110.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 97' ' ' VAL . 37.6 mtp85 -94.32 167.98 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -39.4 83.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' HIS . 1.1 pp20? -60.35 -45.57 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 27.0 m170 -36.28 -39.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.9 t -42.0 121.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.55 172.8 25.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 52.2 t -91.52 140.0 30.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.5 m-85 -110.4 178.92 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -158.01 120.04 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.7 tp -100.35 100.65 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 tp -87.56 123.22 32.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.79 107.57 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' LYS . 8.7 t30 -163.92 153.63 14.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' ASN . 54.9 tttt -36.78 -34.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.7 mt -72.72 -72.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.13 -142.01 3.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.1 p -158.79 167.3 29.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -159.23 167.86 27.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -161.27 136.21 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.52 -175.07 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -154.53 125.09 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.21 129.32 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -88.4 145.53 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -131.43 154.0 49.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.9 m -145.05 136.47 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 71' ' ' ARG . 47.9 t -104.31 137.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.4 122.55 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.726 0.219 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.43 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.4 pt20 -142.0 150.23 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 19.5 mt -104.0 95.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -25.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.27 126.1 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 t80 -161.64 139.61 6.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 132.67 23.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.72 -177.95 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 16' ' ' ASP . 1.6 p-10 -43.81 111.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 2.8 pt20 -133.48 176.17 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -124.22 169.98 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.9 p -161.48 136.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -71.46 135.93 47.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.66 111.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.0 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.54 -175.06 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.3 p -124.49 124.4 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -107.73 149.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -132.03 102.09 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.6 mt -102.93 105.62 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 19.3 t80 -113.83 133.31 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 80' ' ' LEU . . . -115.09 88.51 0.47 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . 44.5 tttt -50.02 139.19 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.03 144.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -110.36 -76.76 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.85 -128.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.3 m -141.82 112.05 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.25 153.87 94.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.74 149.57 88.73 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.352 0.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.9 mt -132.52 129.3 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 39' ' ' CYS . 57.5 m -76.04 141.93 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.461 ' N ' HG22 ' A' ' 38' ' ' THR . 1.7 m -136.74 128.66 29.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -132.66 144.02 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -113.24 123.38 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -132.21 167.25 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -149.62 120.92 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 60.44 45.97 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 61.08 36.55 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -147.22 107.28 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -50.91 131.25 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 49' ' ' GLN . 81.9 mt -72.42 149.11 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 48' ' ' ILE . 10.4 pt20 -105.41 125.67 51.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.51 131.37 50.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -175.05 167.23 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.44 -22.53 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -82.73 -39.85 21.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 57.1 mtp -137.96 105.36 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' C ' HG22 ' A' ' 56' ' ' VAL . 15.4 mttp -98.99 165.29 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 57' ' ' GLU . 85.4 t -141.11 135.67 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' N ' HG12 ' A' ' 56' ' ' VAL . 52.2 tt0 -125.04 80.88 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.79 142.56 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.25 -178.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.04 -50.2 28.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -51.8 -39.58 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.76 -128.62 2.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.448 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 9.1 t -143.17 125.53 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.65 148.39 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.8 tp -127.56 98.64 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.8 m -91.92 112.16 23.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.462 HG23 ' NE2' ' A' ' 74' ' ' HIS . 96.2 mt -97.26 121.9 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.3 mm? -93.02 153.45 18.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 41.53 53.73 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.0 93.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ALA . 35.4 mtp85 -79.06 157.17 28.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -54.65 -15.88 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -83.5 -38.0 22.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.462 ' NE2' HG23 ' A' ' 67' ' ' ILE . 17.7 m80 -45.45 -27.76 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.59 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.2 t -54.88 118.03 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.18 41.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.53 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.86 127.74 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 6.2 m-85 -103.26 167.55 9.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.5 m -149.5 116.29 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 12.2 tp -93.03 109.82 21.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.0 tp -100.56 121.56 41.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -120.89 110.45 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.12 158.58 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.3 p-10 -163.21 -176.46 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -57.71 -37.08 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.93 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.99 -145.38 4.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 p -151.56 174.0 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -161.79 155.92 22.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -141.84 133.74 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . . . -109.23 -178.15 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -155.6 131.25 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 94' ' ' ASN . 2.4 p -142.03 136.67 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.405 ' N ' HG23 ' A' ' 93' ' ' VAL . 9.4 m-80 -101.46 135.78 42.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.415 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 13.4 tp -126.25 152.63 45.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.8 m -139.62 126.09 20.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.8 t -95.45 134.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.52 116.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.4 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.133 0 CA-C-O 120.803 0.251 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.42 ' CG ' HG23 ' A' ' 32' ' ' THR . 5.4 pt20 -143.83 144.37 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -98.84 97.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.57 -23.8 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -123.41 124.71 43.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.4 t80 -160.34 139.9 8.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 131.27 20.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -86.04 -176.41 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -48.05 115.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -133.68 176.33 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -125.64 164.77 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 p -153.34 144.11 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 21' ' ' ALA . 2.2 mmt85 -84.64 114.67 22.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -37.12 111.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.04 2.63 31.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.71 -178.24 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.0 p -119.98 117.12 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -105.47 155.27 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -134.06 91.38 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.5 mt -91.39 113.06 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -120.91 135.92 55.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.69 95.36 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -56.19 134.41 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.22 142.59 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.42 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.5 t -132.72 153.74 50.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.4 -104.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.0 m -148.92 113.25 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 111.16 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.506 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.6 mm-40 -73.35 155.63 89.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.1 Cg_endo -69.84 161.1 87.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.318 0.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.7 mt -135.47 134.94 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 7.3 m -86.46 156.05 20.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 3.7 m -153.64 109.87 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.9 m -119.64 128.28 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -96.26 118.27 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.1 mtm -131.94 162.64 30.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -145.1 136.95 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 51.21 43.06 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 63.64 26.69 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 111.42 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.74 137.08 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.7 mt -82.34 145.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.06 123.08 48.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -47.12 142.3 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.01 179.1 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -70.9 -2.77 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -114.3 -31.46 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.8 mtp -129.7 105.81 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 31.9 mmtt -95.07 -179.07 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 55' ' ' LYS . 69.1 t -161.83 122.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -113.48 92.84 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -85.97 124.44 32.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 m -154.8 164.99 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -44.08 -63.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.17 -39.82 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.82 -152.23 22.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.423 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.2 t -131.97 136.91 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.407 . . . . 0.0 110.866 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -113.64 157.15 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.1 tp -132.99 97.7 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -91.03 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.8 mt -98.74 118.77 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.91 147.78 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.42 52.12 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.89 136.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -114.38 162.06 17.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -60.67 -21.52 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.29 -23.97 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -65.8 -13.64 59.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.14 118.75 12.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.12 -155.29 24.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.43 124.22 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -96.7 177.89 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' MET . 53.0 m -162.05 125.63 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -101.05 106.69 18.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.3 tp -94.55 116.65 29.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -115.56 105.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' THR . 15.7 mt-10 -111.21 142.85 42.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.471 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 29.5 p-10 -149.84 -175.01 4.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.99 -32.03 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.76 -74.87 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.74 -139.6 3.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p -156.98 154.23 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.471 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 5.2 tpt180 -143.85 158.24 43.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -146.55 138.02 24.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -115.89 -176.98 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -156.48 125.75 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.72 124.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.79 135.99 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -127.74 153.71 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.5 m -140.72 127.44 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.3 t -99.58 130.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.81 129.63 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.757 0.232 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' CG ' HG23 ' A' ' 32' ' ' THR . 19.7 pt20 -144.32 150.79 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mt -106.27 98.98 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.91 -26.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -121.22 121.39 37.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.5 t80 -157.76 139.61 10.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 132.33 23.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -88.79 176.66 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.37 119.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -139.33 173.11 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -121.32 166.6 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 20' ' ' ARG . 3.7 p -158.08 141.05 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' N ' HG23 ' A' ' 19' ' ' VAL . 18.8 mmt85 -75.67 135.55 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.0 111.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.25 -17.26 19.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.63 -174.99 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -128.99 132.39 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.09 152.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -127.28 88.94 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -87.87 100.92 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -111.0 131.09 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.08 100.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -60.61 126.24 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.68 140.95 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.409 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.3 t -127.15 151.44 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.38 -116.88 0.75 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.4 m -134.65 104.36 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.512 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.23 154.32 95.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.82 160.57 87.97 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.323 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.0 mt -137.63 123.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.44 HG21 ' N ' ' A' ' 39' ' ' CYS . 8.5 m -65.21 148.06 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' N ' HG21 ' A' ' 38' ' ' THR . 21.3 m -146.73 109.7 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 83.6 m -123.75 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -108.14 121.79 45.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.8 mtm -128.25 165.38 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -144.2 116.28 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 63.52 40.01 8.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 67.9 43.4 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 15.1 pttt -144.75 125.64 14.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -68.66 113.87 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.49 142.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -100.86 124.46 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.36 127.17 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.8 p -164.28 175.73 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.44 -6.2 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -101.28 -36.58 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.2 mtp -135.77 105.18 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -103.12 165.75 10.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -140.95 127.9 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -110.81 82.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.4 118.68 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 m -136.74 177.05 8.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.13 -60.75 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -45.71 -37.44 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.63 -138.22 4.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -143.57 145.56 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -120.69 139.43 53.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -119.47 95.23 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -83.77 122.74 29.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.4 mt -106.35 102.73 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.5 mm? -82.55 144.23 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 50.02 51.85 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.6 106.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 97' ' ' VAL . 33.6 mtp180 -87.07 177.34 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -72.63 -32.16 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' CYS . 0.9 OUTLIER -66.77 -44.22 81.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -40.26 -31.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' GLU . 13.4 t -50.69 111.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.08 -168.63 41.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.515 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.64 122.34 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -92.34 175.88 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -156.76 121.7 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 tp -99.1 105.55 17.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 tp -94.08 120.63 34.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.0 106.64 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.55 148.05 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.6 t30 -154.01 155.42 35.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -35.63 -38.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.08 -74.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.21 -134.56 2.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 p -166.66 159.41 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -144.37 160.65 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -144.97 141.9 29.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 92' ' ' GLN . . . -119.45 -179.12 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 91' ' ' ALA . 67.8 mt-30 -159.01 121.81 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.49 123.25 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -81.03 140.39 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 tp -130.7 157.59 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.6 m -145.64 134.22 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 71' ' ' ARG . 39.8 t -103.04 135.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.99 113.35 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.0 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.725 0.219 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' CG ' HG22 ' A' ' 32' ' ' THR . 13.6 pt20 -143.86 147.71 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 mt -101.41 98.03 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.8 -25.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.96 132.01 54.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 t80 -162.5 140.63 6.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.7 128.74 16.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.236 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -81.43 169.39 17.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 4.1 p-10 -40.0 109.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -124.74 165.67 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.15 167.23 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 20' ' ' ARG . 4.9 p -157.78 136.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.454 ' N ' HG21 ' A' ' 19' ' ' VAL . 14.0 mmt85 -77.69 114.11 16.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.68 113.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.13 38.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -98.89 174.97 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.0 p -107.3 120.34 41.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -118.5 170.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -158.74 129.48 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.31 109.69 15.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -111.33 128.85 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.51 96.37 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -54.87 127.34 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m -120.1 141.2 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.465 HG22 ' CG ' ' A' ' 9' ' ' GLN . 5.1 t -128.52 155.24 45.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.59 -106.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -147.57 106.79 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.506 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -67.02 155.08 91.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.91 87.16 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.355 -0.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.1 mt -135.75 120.6 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.0 m -70.94 153.08 42.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.1 m -152.54 106.21 3.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 m -120.63 135.03 55.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -101.45 126.48 48.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mtm -129.74 140.76 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 31.0 tptt -110.35 131.54 54.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 47.5 46.91 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 63.16 27.89 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -132.08 111.83 11.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -45.64 121.93 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.0 147.13 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.82 116.83 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -49.84 137.04 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -175.21 165.03 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.47 -24.72 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -82.8 -39.31 21.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 39.8 mtp -133.35 103.61 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -102.6 166.57 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -140.55 130.87 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -115.94 83.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -67.43 138.03 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -161.43 168.09 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 10.5 tt0 -52.64 -59.43 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -45.53 -38.44 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 165.18 -132.56 2.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -146.75 143.15 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -122.43 125.69 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.49 100.14 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 m -87.3 133.52 33.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.5 mt -116.12 115.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -94.07 149.8 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.14 41.77 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.3 127.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -102.19 169.83 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -65.58 -9.69 28.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -90.1 -27.59 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -56.33 -30.04 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.606 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.33 125.4 22.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 -139.56 5.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.521 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 36.7 m -134.29 112.45 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.53 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 78.0 m-85 -84.15 173.33 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -148.77 112.74 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.4 tp -95.81 114.73 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 tp -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -134.83 99.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -101.34 147.0 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.8 t30 -152.63 153.07 32.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 29.6 ttpt -34.69 -36.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' ASN . 85.0 mt -70.07 -73.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.21 -133.01 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 p -166.37 168.08 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.7 tpt85 -157.46 160.86 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 14.2 pt20 -148.41 122.71 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -106.83 174.76 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.458 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.8 mp0 -149.52 144.45 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.9 p -147.95 131.93 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.36 136.57 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.9 tp -128.74 135.99 49.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -118.21 129.17 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.3 t -101.25 136.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.6 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.7 0.209 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -149.61 137.57 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.4 mt -92.65 98.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -24.37 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -121.44 123.32 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 5.9 t80 -157.68 140.07 10.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.83 129.89 18.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 16' ' ' ASP . 80.7 mt-10 -84.8 167.01 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.4 p-10 -34.77 110.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -124.12 -179.83 4.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.6 162.85 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.85 139.72 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.1 mmt85 -76.87 110.73 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -34.7 106.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.01 11.1 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -101.44 -179.37 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.9 p -109.7 121.89 46.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.23 175.4 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 2.4 pp20? -165.45 128.37 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -119.71 111.05 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.41 124.3 50.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.14 99.56 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -57.59 122.06 11.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' CG1' HG13 ' A' ' 82' ' ' VAL . 34.9 m -112.5 140.21 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 t -127.97 148.7 50.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.53 -114.66 0.62 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.5 m -136.63 110.88 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 111.185 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.509 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.22 155.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.2 Cg_endo -69.77 160.96 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.335 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.1 mt -134.68 123.14 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 4.0 m -73.85 151.8 40.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -149.73 115.94 5.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.11 145.64 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -112.3 131.62 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 47' ' ' GLN . 4.9 mtm -136.72 136.3 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -106.29 148.92 27.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 37.58 49.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 56.79 39.03 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . 46.2 tttm -150.23 111.93 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.418 ' HA ' ' CB ' ' A' ' 42' ' ' MET . 15.0 tt0 -37.45 139.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 49' ' ' GLN . 90.2 mt -84.28 154.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.459 ' N ' HG22 ' A' ' 48' ' ' ILE . 8.5 pt20 -107.74 131.69 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.59 131.25 42.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -165.19 -175.39 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.62 3.54 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.497 ' CE1' ' HE ' ' A' ' 71' ' ' ARG . 19.2 m-70 -115.15 -29.58 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.1 mtp -138.7 109.16 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -104.76 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -147.16 128.94 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.05 91.89 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -157.13 172.45 18.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.4 -60.09 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -46.02 -37.3 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.61 -132.86 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -150.46 135.58 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -111.26 137.9 48.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.34 96.36 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.2 m -86.01 135.12 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.4 mt -119.08 121.07 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 68' ' ' LEU . 1.8 mm? -96.58 150.1 21.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 33.95 40.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -33.71 138.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.497 ' HE ' ' CE1' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -103.88 176.18 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -67.62 -26.25 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.4 pp20? -70.67 -43.74 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 70' ' ' ALA . 23.2 m170 -37.7 -38.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.6 t -43.8 117.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.02 -146.64 9.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.4 p -128.35 113.07 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 55.7 m-85 -85.7 143.3 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.6 m -126.89 114.89 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -93.04 106.19 18.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.3 tp -90.8 125.97 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.4 HG13 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -123.42 103.32 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' THR . 39.1 mt-10 -110.17 143.69 39.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -149.11 -175.23 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -60.45 -24.53 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.6 mt -79.71 -73.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.51 -131.49 2.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.9 p -163.55 150.53 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -140.84 155.93 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -141.38 135.11 30.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.05 178.72 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -154.95 118.43 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.404 ' CG1' ' CE2' ' A' ' 13' ' ' PHE . 1.2 p -127.48 129.77 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -84.79 140.17 31.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -134.25 133.1 40.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 97' ' ' VAL . 20.4 m -121.43 135.03 55.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.428 ' N ' HG21 ' A' ' 96' ' ' THR . 55.7 t -106.27 132.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.46 132.92 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.751 0.229 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mt -101.91 100.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.78 -23.46 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.46 123.38 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 12.7 t80 -161.32 139.62 7.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 125.34 12.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ASP . 4.6 mm-40 -86.01 172.1 10.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -36.6 113.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -131.29 178.58 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -123.22 168.03 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.12 145.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -81.14 121.77 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.68 106.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.78 3.59 25.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.62 174.79 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 m -111.61 113.23 25.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.51 176.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -169.09 105.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' CZ2' ' A' ' 41' ' ' TRP . 15.1 mt -97.06 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -117.34 135.26 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.03 101.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -62.56 130.32 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.03 140.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.148 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -105.09 -76.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.67 -130.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.9 m -132.26 99.5 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.542 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -67.17 150.97 97.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.879 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.3 Cg_endo -69.76 145.83 80.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.375 -0.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.2 mt -126.36 148.24 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 39' ' ' CYS . 31.2 m -83.11 154.12 24.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' N ' HG23 ' A' ' 38' ' ' THR . 18.0 m -149.17 129.64 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.6 m -137.09 142.6 42.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.504 ' CZ2' ' O ' ' A' ' 27' ' ' LEU . 61.7 m95 -109.53 125.93 53.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtm -137.75 152.25 49.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.513 ' HZ2' ' N ' ' A' ' 77' ' ' CYS . 25.4 tttp -131.76 134.2 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 53.64 41.92 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 60.53 43.03 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -155.37 105.52 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -38.96 134.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 81.1 mt -73.41 156.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 84.1 mt-30 -108.79 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.44 128.13 35.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -165.77 -175.71 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -70.95 -8.61 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -34.77 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.567 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.05 105.13 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -100.97 171.85 7.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.93 128.3 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -110.99 81.37 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.55 129.74 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.8 m -154.99 172.51 17.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tp10 -56.71 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' GLU . 12.3 m-20 -38.12 -41.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.78 -136.69 4.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.408 ' OG ' ' CD1' ' A' ' 41' ' ' TRP . 44.5 t -145.33 143.27 30.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -120.23 148.85 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.7 tp -127.88 100.59 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -91.12 127.99 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.4 mt -110.21 118.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.6 mm? -89.74 149.42 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 37.66 40.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.91 101.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' N ' ' ND1' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -73.65 -174.96 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.89 -29.4 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' HIS . 14.1 pt-20 -69.84 -41.6 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' GLU . 19.6 m80 -36.84 -41.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -42.1 126.82 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.76 -140.06 5.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.513 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 19.5 p -137.83 122.51 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -95.0 173.23 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.5 m -158.27 112.74 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 tp -91.87 116.35 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 tp -102.5 119.88 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -118.67 102.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 46.1 mt-10 -104.34 162.97 12.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' LEU . 18.7 p-10 -165.74 -175.06 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 84.6 mt -76.89 -75.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.13 -135.98 2.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 16.6 p -163.4 154.11 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -136.72 154.88 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -140.56 136.0 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -114.32 179.37 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -156.38 122.03 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -134.05 128.24 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -88.7 140.39 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -126.83 139.53 53.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.3 m -124.96 121.45 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.3 t -93.05 132.26 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.75 119.22 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.116 0 CA-C-O 120.736 0.223 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' CG ' HG21 ' A' ' 32' ' ' THR . 14.0 pt20 -143.47 151.34 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 23.2 mt -105.14 96.94 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -27.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -120.43 128.62 53.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 13.6 t80 -167.79 139.34 2.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.77 147.47 62.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ASP . 18.5 mt-10 -107.82 175.49 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -34.51 111.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.5 pt20 -133.7 175.45 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -125.78 163.66 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p -155.16 137.17 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -71.67 132.88 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.18 111.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.0 14.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.9 -175.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.7 p -125.51 130.14 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 p -113.45 149.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -128.72 94.95 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -93.41 108.62 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -115.65 133.96 55.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.02 94.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -55.68 137.87 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' A' ' 82' ' ' VAL . 28.0 m -127.37 144.8 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.417 HG21 ' CG ' ' A' ' 9' ' ' GLN . 1.8 t -135.29 150.46 50.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.16 -98.4 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.0 m -153.34 107.21 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.517 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 41.2 mm-40 -69.69 154.9 94.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.77 160.74 87.54 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 -1.791 . . . . 0.0 112.346 0.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.7 mt -137.62 118.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.2 m -72.1 151.5 43.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.5 m -151.46 122.99 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -131.46 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -100.88 124.22 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -129.3 163.09 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -140.68 117.73 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 64.45 43.4 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 63.95 36.48 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -139.85 128.79 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.41 125.07 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.87 151.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -108.76 124.05 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.61 131.06 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.5 t -175.2 166.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.94 -24.25 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -80.39 -40.76 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 mtp -137.66 105.56 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -100.73 170.29 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -147.46 133.24 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -113.92 83.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.2 125.56 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m -155.2 163.16 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -45.96 -60.04 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -40.72 -41.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.95 -141.43 7.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -136.89 140.2 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -120.54 151.87 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.2 tp -128.59 98.83 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -89.91 116.97 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.9 mt -101.68 121.86 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.3 mm? -94.71 154.36 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.19 53.77 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.7 101.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -65.79 -19.11 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -82.42 -28.99 31.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -56.78 -32.41 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.597 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.2 t -46.87 136.68 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.52 -177.32 23.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.5 t -97.63 142.7 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.355 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.89 177.66 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.2 m -152.4 108.67 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -90.95 113.49 25.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -98.88 138.8 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.469 HG12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.7 105.06 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -110.66 149.78 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 7.9 p-10 -154.64 179.01 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -54.44 -36.95 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 38.0 mt -68.52 -75.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 -132.39 2.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.434 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.2 p -163.67 158.39 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 89' ' ' ARG . 3.4 tpm_? -148.51 163.58 36.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -154.45 125.91 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -110.04 179.65 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.473 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.5 mp0 -150.73 150.96 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 13' ' ' PHE . 2.4 p -156.04 123.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.96 142.01 38.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.8 tp -136.78 148.11 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -136.43 147.41 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -114.9 131.11 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.9 118.12 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.9 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.74 0.225 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.43 141.12 19.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.8 mt -98.64 99.28 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -23.63 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -123.79 123.99 41.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.545 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -159.05 139.86 9.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 125.83 12.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.29 173.82 10.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -39.24 119.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -141.1 170.58 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.39 173.92 6.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 p -162.97 132.22 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.1 122.94 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.07 112.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.79 -4.56 30.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.14 -176.08 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 m -122.11 112.29 18.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.12 167.72 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 1.4 pm0 -159.45 120.63 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -109.85 116.97 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -122.1 123.68 42.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.58 102.66 1.73 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -61.84 133.32 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.69 143.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -111.64 -76.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.58 -112.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.9 m -157.81 109.77 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.659 0.266 . . . . 0.0 111.192 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.5 mm-40 -68.19 153.42 95.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.76 153.82 93.08 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.339 -0.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mt -138.15 128.35 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 m -76.49 146.83 38.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 40.3 m -141.56 123.73 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 41' ' ' TRP . 82.5 m -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.47 ' N ' HG21 ' A' ' 40' ' ' THR . 68.8 m95 -112.99 124.86 53.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -131.01 165.89 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -146.94 115.87 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 63.89 46.43 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? 61.47 41.52 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -153.3 112.09 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.75 129.77 30.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.4 mt -73.36 150.6 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -107.02 128.47 54.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.45 133.67 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -175.21 172.62 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.39 -27.8 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -78.22 -40.95 35.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 62.7 mtp -135.62 104.25 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -97.94 161.58 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.4 t -140.02 129.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -118.3 85.83 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -72.01 134.56 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -158.68 167.61 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.4 tp10 -47.92 -63.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -39.23 -41.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.85 -145.78 10.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 11.1 t -127.8 142.64 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -122.69 147.52 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.6 tp -133.46 104.41 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 m -93.95 138.0 32.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.8 mt -117.6 116.69 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.3 mm? -92.02 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.5 46.43 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.19 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -85.77 168.02 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -62.8 -27.3 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' HIS . 23.7 pt-20 -73.48 -40.82 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' GLU . 10.3 m80 -39.36 -41.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 25.3 t -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.18 -137.14 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.2 p -138.09 131.93 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -109.23 163.73 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -146.7 123.83 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 tp -101.27 105.3 16.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -94.2 120.08 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 89' ' ' ARG . 3.1 m -117.83 115.17 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -117.27 146.23 43.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 25.1 p-10 -149.15 -176.66 5.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.96 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.5 -75.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.8 -130.77 2.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.4 p -163.25 168.65 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 16.7 tpt180 -156.24 158.82 38.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.36 129.56 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.3 -178.95 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -155.27 131.5 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -142.19 131.54 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -94.45 141.75 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -133.3 150.48 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -137.01 135.19 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.0 t -101.67 136.08 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.0 126.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.87 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.136 0 CA-C-O 120.747 0.228 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.449 ' CG ' HG22 ' A' ' 32' ' ' THR . 12.0 pt20 -148.12 146.57 28.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mt -98.16 95.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -26.31 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -125.04 130.38 52.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.0 t80 -165.31 139.56 3.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 137.4 35.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.46 -176.9 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -43.89 113.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.451 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -133.08 172.26 12.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -117.91 169.35 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -159.86 131.76 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 12.4 mmt85 -73.89 117.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -37.72 113.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.09 12.84 30.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -100.54 -178.24 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.2 p -115.8 119.76 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -115.69 150.3 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -134.68 106.32 6.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 mt -101.36 96.25 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.07 131.11 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.31 96.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -56.2 134.75 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.0 m -126.83 145.62 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.449 HG22 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -137.49 145.67 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.4 -99.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 72.4 m -156.72 105.45 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 111.168 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.533 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 30.9 mm-40 -65.96 154.34 89.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.718 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.74 160.9 87.17 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.331 -0.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.8 mt -138.78 126.28 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 m -79.72 146.38 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.1 m -141.07 128.77 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 m -129.31 134.43 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -107.42 109.29 20.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -117.94 172.34 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' NZ ' ' CZ ' ' A' ' 78' ' ' TYR . 18.2 tttp -154.51 121.1 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 60.24 45.24 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 60.71 42.68 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -156.16 110.72 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -47.84 130.79 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.3 mt -75.05 141.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -97.09 126.12 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -60.71 136.92 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -175.4 162.33 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -48.83 -28.25 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.66 -39.41 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtp -132.57 97.55 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -93.04 -179.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -151.85 130.53 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.03 85.28 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -84.01 145.94 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -173.09 -176.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -50.96 -48.35 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -53.36 -38.28 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.99 -127.55 2.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -142.17 136.56 30.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.428 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -120.83 153.63 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 tp -131.28 97.92 4.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -87.09 119.09 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 99.2 mt -102.67 113.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 2.5 mm? -87.99 150.55 23.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 40.51 51.8 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.29 110.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -88.24 156.36 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -58.08 -25.57 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.06 -40.72 27.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -40.67 -35.98 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 t -42.54 124.97 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.62 -173.44 42.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.3 t -103.27 129.25 50.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CZ ' ' NZ ' ' A' ' 43' ' ' LYS . 9.6 m-85 -103.5 167.85 9.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.7 m -150.03 128.7 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -106.45 107.86 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 tp -99.26 117.68 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.95 109.79 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -107.51 148.73 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 25.0 t30 -155.47 154.12 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.496 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -32.59 -44.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 ' ND2' ' A' ' 84' ' ' ASN . 7.2 mp -67.02 -75.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.94 -158.64 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.2 p -143.97 166.9 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -150.56 156.73 41.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.55 131.45 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.42 -176.14 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -157.69 137.0 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 94' ' ' ASN . 2.7 p -148.21 137.59 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.428 ' N ' HG22 ' A' ' 93' ' ' VAL . 13.3 m-80 -101.19 144.79 29.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.3 tp -135.26 152.5 51.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -138.43 135.62 35.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.9 t -103.03 133.28 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.33 131.92 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.6 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.119 0 CA-C-O 120.78 0.242 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -147.83 151.96 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.3 98.21 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -22.62 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.17 126.44 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.0 t80 -164.91 139.24 4.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 123.31 9.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ASP . 34.8 mp0 -83.46 173.89 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.85 116.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.818 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.46 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -122.93 169.01 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.6 p -161.78 136.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -72.42 138.52 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.96 110.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.09 -20.1 17.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.16 -175.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -127.0 131.61 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 67' ' ' ILE . 4.7 p -117.01 154.32 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -134.62 100.65 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.8 mt -100.33 108.98 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -118.0 126.87 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.77 98.23 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -62.97 136.77 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.37 143.17 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -106.09 -76.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.2 -136.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.6 m -124.94 99.1 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.526 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -62.95 151.76 85.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.74 153.85 93.03 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.335 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 mt -131.88 131.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 39' ' ' CYS . 47.0 m -74.39 154.03 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 85.9 m -145.73 134.94 22.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 m -141.51 140.55 33.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -109.0 129.46 55.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 mtm -137.68 156.38 48.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -136.83 126.31 25.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 55.78 50.63 13.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 55.75 41.55 30.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -152.16 105.01 3.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -43.8 136.13 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.7 mt -77.12 151.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -112.14 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.29 137.01 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.4 p -173.44 173.55 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.49 -4.7 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -105.23 -35.33 7.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 mtp -135.49 110.47 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 28.9 mmtt -94.94 -176.63 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 55' ' ' LYS . 70.8 t -161.54 122.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -110.64 78.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -77.47 125.52 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -155.78 -177.76 6.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.6 tt0 -58.1 -69.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' GLU . 26.1 m120 -36.75 -36.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.06 -132.5 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.0 t -152.12 144.57 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.878 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -120.43 154.85 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 tp -132.05 94.09 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -85.63 114.53 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.411 ' HB ' ' CG1' ' A' ' 25' ' ' VAL . 43.4 mt -97.91 120.79 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.7 mm? -97.39 147.48 24.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.25 53.33 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.16 108.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -92.14 151.26 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -53.38 -26.58 19.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 pp20? -72.65 -38.41 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 27.6 m170 -45.36 -31.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 39.8 t -50.92 114.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.93 -147.96 9.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.55 126.7 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -102.61 168.16 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.8 m -150.99 118.86 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -97.06 112.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 tp -97.57 120.63 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.38 99.47 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 37.7 mt-10 -98.06 152.91 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.47 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 5.7 p-10 -155.42 -175.05 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -44.41 84.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.81 -72.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -148.29 -135.45 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.459 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 50.9 p -161.8 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -132.72 160.72 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -143.62 138.13 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -117.92 -178.35 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -155.53 133.01 11.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.53 HG13 ' CE2' ' A' ' 13' ' ' PHE . 2.3 p -141.85 119.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -80.35 134.61 36.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -123.21 152.03 41.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.3 m -137.37 131.24 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.15 132.85 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.29 120.98 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 CA-C-O 120.73 0.221 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' CG ' HG21 ' A' ' 32' ' ' THR . 10.7 pt20 -151.05 144.46 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.27 96.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -79.07 -25.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -126.0 122.17 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 12.3 t80 -156.97 139.4 10.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 124.38 11.04 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.28 175.52 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.11 126.04 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -145.54 175.01 10.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -123.12 170.53 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 20' ' ' ARG . 4.2 p -159.92 150.11 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.6 mmt85 -87.74 116.46 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.71 109.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 110.7 1.81 28.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.31 178.62 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.4 p -114.67 117.6 31.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.87 154.15 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -134.93 106.2 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.0 mt -107.94 108.42 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 28.2 t80 -121.07 137.11 54.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.9 90.58 0.5 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 15.2 tttm -51.59 134.27 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.28 145.11 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -110.69 -76.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.26 -130.24 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.1 m -140.62 105.46 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.144 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 32.0 mm-40 -65.68 154.03 89.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.8 Cg_endo -69.73 155.81 93.01 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.381 -0.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.9 mt -140.32 130.04 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 39' ' ' CYS . 11.9 m -70.87 150.21 46.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' N ' HG23 ' A' ' 38' ' ' THR . 3.5 m -145.81 126.23 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.0 m -135.48 138.29 43.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -105.87 120.11 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.4 mtm -134.2 150.46 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -126.6 122.26 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CE1' ' SG ' ' A' ' 77' ' ' CYS . 10.5 m-85 57.43 47.14 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 61.98 29.99 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.26 112.15 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -54.27 122.01 9.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.2 mt -66.04 146.9 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -107.35 123.75 48.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.57 134.59 57.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -173.06 168.43 4.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.18 -15.79 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -96.29 -34.39 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.0 mtp -133.08 96.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -95.86 167.7 11.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.7 t -144.79 127.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.27 84.87 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -83.69 128.99 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.39 -175.82 5.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CD ' ' HG3' ' A' ' 35' ' ' GLN . 4.8 tp10 -53.15 -49.03 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -52.47 -39.09 60.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.22 -127.15 1.87 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -145.83 133.21 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.39 148.27 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.8 tp -128.9 97.81 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -88.48 115.89 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.16 108.76 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.3 mm? -85.45 146.64 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.82 49.72 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . -35.27 122.37 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -102.61 164.52 11.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -62.63 -17.09 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 2.6 pt-20 -86.06 -31.63 21.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 16.7 m170 -57.12 -20.47 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.02 134.03 55.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.24 172.0 15.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.565 ' SG ' ' CE1' ' A' ' 44' ' ' PHE . 20.1 p -84.95 141.21 30.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -108.31 177.61 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 89.9 m -155.0 116.81 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -99.88 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -92.87 123.31 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -123.07 99.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -103.94 152.81 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' LEU . 8.3 p-10 -154.39 -175.13 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -31.77 70.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.452 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 80.0 mt -77.51 -75.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -144.3 -135.63 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 p -163.4 155.18 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 26.4 tpt180 -137.53 156.24 48.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -144.73 130.57 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -114.08 -177.55 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -157.27 130.49 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.44 118.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -77.48 142.26 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -137.0 141.35 42.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.8 m -126.49 132.22 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -99.49 132.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.45 123.88 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.6 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.746 0.227 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.474 ' CG ' HG21 ' A' ' 32' ' ' THR . 18.5 pt20 -147.68 149.9 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.44 98.05 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -24.49 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -124.27 129.84 51.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.2 t80 -165.26 139.68 4.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.76 138.27 37.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -93.11 174.16 7.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.28 115.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -134.3 174.74 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -124.06 163.34 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.07 139.01 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -71.99 133.17 45.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.22 111.44 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.69 -20.57 15.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.82 -176.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.7 p -124.75 126.4 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -111.8 154.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -133.75 100.76 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -99.67 106.44 18.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -114.93 132.17 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.66 102.43 0.95 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -61.23 127.17 30.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.8 m -118.97 142.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.474 HG21 ' CG ' ' A' ' 9' ' ' GLN . 7.7 t -131.07 154.9 47.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.71 -99.05 0.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -154.2 111.03 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.686 0.279 . . . . 0.0 111.126 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 33.8 mm-40 -72.77 155.23 90.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.71 161.18 86.59 Favored 'Cis proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.381 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -136.97 125.65 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 m -72.86 151.37 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -149.9 117.36 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 41' ' ' TRP . 92.7 m -129.34 138.66 51.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.45 ' N ' HG21 ' A' ' 40' ' ' THR . 48.6 m95 -106.25 118.17 35.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mtm -128.75 137.62 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' CE ' ' HA3' ' A' ' 76' ' ' GLY . 21.2 tttt -114.04 122.05 45.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 58.02 47.21 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 61.32 29.91 18.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -128.61 114.96 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -57.5 121.68 10.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 49' ' ' GLN . 75.2 mt -71.68 143.15 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.411 ' N ' HG23 ' A' ' 48' ' ' ILE . 67.5 mt-30 -106.44 119.81 40.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.86 133.91 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.49 178.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -63.72 -15.81 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -90.86 -37.94 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.98 106.61 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -101.95 167.63 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -144.61 132.19 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -114.2 82.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.65 118.47 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.7 m -136.43 -179.85 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -65.46 -60.49 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -45.92 -38.59 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 172.08 -142.21 6.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -139.34 139.36 37.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -112.55 153.42 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.4 tp -132.79 95.74 3.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.0 m -86.23 127.34 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.427 HG21 ' CE1' ' A' ' 74' ' ' HIS . 78.9 mt -110.56 114.7 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.8 mm? -89.23 149.64 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 43.18 53.68 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.63 93.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ALA . 32.7 mtp85 -77.51 152.69 34.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -53.1 -17.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -80.44 -33.49 36.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CE1' HG21 ' A' ' 67' ' ' ILE . 16.9 m170 -51.38 -32.51 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.84 125.03 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.463 ' HA3' ' CE ' ' A' ' 43' ' ' LYS . . . 152.24 178.99 27.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.2 p -96.59 135.24 38.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.7 m-85 -102.61 175.46 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.4 m -153.35 119.09 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -97.67 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 tp -97.0 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.84 104.04 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.89 153.26 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 11.5 p-10 -162.2 174.19 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -45.57 -49.79 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.11 -76.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.99 -143.33 3.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 p -153.58 169.75 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -155.97 159.89 39.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.51 138.16 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.0 -178.56 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -154.25 122.36 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.38 119.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -76.61 146.58 38.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -143.27 151.04 40.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.4 m -142.22 144.39 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.9 t -110.56 131.1 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.64 118.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.909 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.243 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.469 ' CG ' HG21 ' A' ' 32' ' ' THR . 13.0 pt20 -141.99 151.36 42.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -104.14 96.88 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -25.36 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -168.96 139.88 1.96 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 131.92 22.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.4 -175.66 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -46.27 114.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.461 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.3 pt20 -137.57 171.41 14.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -119.48 169.35 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 p -160.41 132.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -70.4 125.5 26.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.32 111.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.14 -32.69 5.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.12 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.0 p -128.05 129.49 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.76 158.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -134.97 85.63 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.1 mt -84.44 106.67 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -118.15 129.03 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.48 96.96 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.463 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -56.57 128.01 34.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.09 141.77 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.469 HG21 ' CG ' ' A' ' 9' ' ' GLN . 3.2 t -131.33 156.78 44.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.79 -100.57 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -151.63 105.69 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.712 0.291 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.21 154.66 94.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.8 160.83 87.47 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.382 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.87 129.12 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 39' ' ' CYS . 32.9 m -78.21 149.4 33.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' N ' HG21 ' A' ' 38' ' ' THR . 59.9 m -146.63 107.44 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -112.52 139.55 48.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -108.66 120.85 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 mtm -130.35 171.97 12.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 22.1 tttm -156.15 123.74 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 64.79 38.78 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 63.1 41.94 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.72 125.86 9.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.64 132.82 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.08 144.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -103.15 115.0 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.57 136.06 27.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' MET . 3.5 t -173.79 157.91 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.08 -20.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' SER . 5.6 m170 -87.08 -38.7 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 24.6 mtp -133.17 102.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -101.82 169.83 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.6 t -142.67 138.87 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -120.73 82.48 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -69.65 131.56 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -157.1 175.39 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.23 -63.82 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -38.97 -42.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.65 -134.4 3.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 25.6 t -141.04 148.23 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -126.91 147.84 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.3 tp -128.12 97.47 4.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -86.55 119.41 26.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -103.31 107.07 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.9 mm? -84.51 146.72 27.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.36 53.6 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.47 111.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -91.64 151.68 20.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -55.35 -29.16 57.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 74' ' ' HIS . 10.0 pt-20 -73.77 -42.14 61.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' GLU . 18.6 m80 -38.29 -36.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.8 t -42.14 115.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.6 170.67 33.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -88.8 130.0 35.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -101.69 175.13 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.7 m -152.39 126.11 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -104.97 105.47 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.62 121.15 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.67 109.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -108.47 140.15 42.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.3 t30 -148.84 157.46 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.475 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 17.0 tptt -34.65 -46.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.51 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.0 -131.43 2.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.0 p -164.53 176.95 8.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.6 tpt85 -165.77 159.87 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -149.99 126.27 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.04 -175.54 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -156.87 142.74 17.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.54 141.42 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -100.23 128.54 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.0 tp -123.66 156.28 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.4 m -144.5 139.53 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.42 135.99 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.46 123.17 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.117 0 CA-C-O 120.723 0.218 . . . . 0.0 112.316 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' CG ' HG21 ' A' ' 32' ' ' THR . 12.2 pt20 -145.76 152.87 40.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 91' ' ' ALA . 22.9 mt -106.66 96.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -26.03 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.08 129.12 50.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 10.3 t80 -164.3 139.65 4.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.77 135.06 29.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -91.47 -177.68 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -46.91 114.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -137.75 167.94 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -113.45 169.98 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -163.41 129.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.73 131.83 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.35 111.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.62 -24.69 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -62.46 -177.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.5 p -123.66 124.91 43.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.441 ' CG1' ' HB ' ' A' ' 67' ' ' ILE . 4.0 p -113.05 153.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.45 89.9 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -88.08 104.48 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -114.4 124.54 52.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.59 93.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -52.1 125.11 14.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -118.83 141.57 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.457 HG21 ' CG ' ' A' ' 9' ' ' GLN . 5.9 t -130.68 153.17 49.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.13 -110.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -144.91 105.65 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.524 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.7 mm-40 -67.98 155.01 92.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.7 160.9 87.08 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.332 -0.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -139.75 136.68 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.0 m -82.52 153.1 25.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 m -154.76 105.15 2.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.7 m -117.23 137.92 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -101.09 126.06 47.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' THR . 16.6 mtm -135.3 156.92 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -131.75 116.12 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 60.11 47.25 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 63.19 33.19 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -134.21 112.8 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.99 125.65 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 49' ' ' GLN . 87.6 mt -72.81 141.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.454 ' N ' HG21 ' A' ' 48' ' ' ILE . 49.5 mt-30 -103.65 113.72 27.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -45.76 137.19 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -170.62 -175.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.99 -16.87 62.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 19.8 m-70 -92.7 -36.55 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.598 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.42 ' HE3' ' CD1' ' A' ' 48' ' ' ILE . 41.3 mtp -132.52 107.04 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' HG23 ' A' ' 56' ' ' VAL . 27.5 mtmt -103.05 176.82 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 55' ' ' LYS . 97.6 t -147.7 137.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -124.02 85.97 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.72 131.42 46.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -152.62 170.2 20.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.63 -59.39 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -45.02 -37.07 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 167.54 -137.35 4.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -139.72 136.14 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -112.65 136.36 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -116.96 97.33 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -83.0 126.51 32.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.566 HG21 ' CD2' ' A' ' 74' ' ' HIS . 85.0 mt -110.95 107.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -88.54 146.43 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 49.59 53.27 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.68 94.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.495 ' N ' ' ND1' ' A' ' 74' ' ' HIS . 49.4 ttt85 -83.09 152.79 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -45.75 -43.75 13.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.5 pt-20 -54.04 -44.65 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CD2' HG21 ' A' ' 67' ' ' ILE . 78.0 m80 -44.12 -36.45 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.2 t -45.18 123.2 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 148.3 175.79 21.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.0 140.7 29.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.08 -176.45 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' MET . 57.9 m -158.95 119.01 3.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -98.42 103.31 15.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 tp -89.23 137.08 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 89' ' ' ARG . 1.2 m -136.86 105.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -112.19 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.445 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 7.7 p-10 -148.98 -179.82 7.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -53.5 -39.06 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.96 -74.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.5 -136.38 2.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 p -158.71 164.11 36.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 32.2 tpt85 -152.83 157.36 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.12 130.58 17.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.426 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . . . -107.17 -176.71 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -155.74 133.63 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.78 125.01 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -86.13 135.26 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -129.81 145.14 51.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -132.73 131.96 41.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.8 t -100.8 134.27 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.65 117.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.734 0.222 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.466 ' CG ' HG21 ' A' ' 32' ' ' THR . 21.7 pt20 -145.89 148.48 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 mt -99.12 97.18 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.475 HG12 ' N ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -79.5 -31.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.475 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.1 mp0 -122.86 140.16 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.8 t80 -170.34 139.7 1.48 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 130.63 19.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -90.09 179.74 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -43.74 118.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -139.44 178.67 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -124.04 168.67 12.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.85 136.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.55 131.14 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.31 112.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 113.3 -24.36 12.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -66.26 -175.04 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.5 p -127.6 122.88 34.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.73 160.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.95 89.16 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.2 mt -87.98 95.85 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -107.08 129.08 54.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.97 96.49 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 24.8 tttp -56.08 138.97 48.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.52 151.42 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 9' ' ' GLN . 4.3 t -141.05 150.39 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.71 -109.84 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -143.51 105.82 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 40.2 mm-40 -68.61 154.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.73 160.84 87.26 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.328 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.12 131.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -81.05 152.93 27.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.9 m -154.04 119.75 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -127.02 136.09 51.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -104.5 114.9 29.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -121.21 150.0 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 77' ' ' CYS . 24.2 tttt -129.78 122.32 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 63.75 44.34 5.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 60.87 39.06 17.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -150.92 120.89 7.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -52.12 126.51 18.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.61 144.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -96.01 121.8 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.07 122.6 15.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -161.18 164.5 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.28 -20.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -85.61 -39.38 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.2 mtp -134.62 100.96 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.6 168.62 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.0 t -145.1 128.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -120.32 85.58 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -81.41 141.2 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.83 -175.94 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 45.3 tt0 -53.04 -45.62 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.48 -38.55 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.15 -126.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t -146.88 130.85 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 110.829 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -116.63 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.6 tp -113.09 96.84 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -86.97 119.31 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.24 112.43 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -90.46 146.44 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.93 49.26 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.168 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.26 117.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -95.53 171.28 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -66.72 -28.13 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.472 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.2 pp20? -72.96 -45.14 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.472 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 25.5 m170 -36.75 -40.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.6 t -46.48 118.87 2.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.41 -134.47 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 26.5 p -137.26 145.25 43.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 4.2 m-85 -119.29 170.82 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.6 m -151.15 122.89 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -100.09 110.95 23.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 tp -102.12 118.63 37.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.08 108.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -110.09 144.14 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.5 t30 -149.62 156.61 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -38.37 -31.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.57 -74.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.19 -132.74 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.502 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.4 p -168.62 164.01 12.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -151.34 158.77 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -147.52 133.58 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -119.9 -175.74 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -156.93 141.96 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -145.61 130.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.16 128.4 37.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.6 tp -120.12 152.7 37.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.3 m -137.57 139.22 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.3 t -108.53 134.36 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.49 120.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' SER . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.706 0.211 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -155.01 127.95 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mt -89.12 98.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 32' ' ' THR . 0.3 OUTLIER -81.51 -19.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -124.04 119.28 29.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 5.2 t80 -158.07 140.38 10.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.79 132.08 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 44.5 mt-10 -88.52 173.05 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 16' ' ' ASP . 2.6 p-10 -37.24 111.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -130.6 171.33 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -115.66 169.47 9.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -159.43 139.2 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.1 mmt180 -80.03 113.76 18.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -35.11 110.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.64 6.62 30.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -95.23 -175.28 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 p -122.45 118.55 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -109.38 154.98 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.67 99.23 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 mt -103.0 101.69 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -120.36 141.46 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.81 109.58 1.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -67.56 126.09 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -106.81 145.49 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.457 ' CG2' HD13 ' A' ' 11' ' ' ILE . 2.1 p -105.83 -32.79 8.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' CA ' HD11 ' A' ' 37' ' ' ILE . . . -38.96 161.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.9 m -63.91 134.17 54.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 25.8 mm-40 -86.97 156.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.3 Cg_endo -69.75 162.65 83.67 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.3 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.458 HD11 ' CA ' ' A' ' 33' ' ' GLY . 51.0 mt -133.42 121.95 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.1 m -64.16 157.5 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.8 m -150.01 126.06 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.3 m -137.39 113.86 10.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -89.66 119.99 30.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 79' ' ' THR . 13.6 mtm -132.65 135.99 46.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 58.55 45.79 15.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 63.07 30.16 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -127.91 111.85 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.52 127.17 26.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 49' ' ' GLN . 63.4 mt -78.61 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' N ' HG23 ' A' ' 48' ' ' ILE . 16.5 mp0 -105.08 118.42 36.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -49.59 135.93 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 t -175.04 165.27 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -53.1 -22.71 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -87.46 -37.05 17.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.417 ' CE ' HG21 ' A' ' 48' ' ' ILE . 42.5 mtp -133.66 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -96.82 167.44 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' C ' ' OE2' ' A' ' 57' ' ' GLU . 53.4 t -144.34 124.04 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.6 mp0 -112.22 106.04 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -92.39 133.74 35.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -165.4 168.17 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.8 OUTLIER -39.15 -70.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' GLU . 78.0 m-20 -35.07 -41.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.86 -134.7 4.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.1 t -131.0 150.99 51.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -133.21 128.92 36.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 tp -108.04 99.88 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -88.91 116.11 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.2 mt -99.95 114.57 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.1 mm? -92.59 149.94 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.53 50.89 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.91 110.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -89.91 162.36 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -66.87 -6.76 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -95.44 -36.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -47.57 -31.5 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.64 121.17 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.86 -151.91 13.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 54.0 t -123.7 102.65 7.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.37 158.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' MET . 27.7 m -141.9 114.92 8.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.7 tp -92.58 108.28 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.73 115.75 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.08 99.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 32.8 mt-10 -102.12 153.31 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.458 ' ND2' HD11 ' A' ' 86' ' ' LEU . 9.2 p-10 -159.14 179.4 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -52.17 -42.78 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 3.9 mp -67.47 -75.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.31 -142.68 3.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.446 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 12.8 p -157.56 155.24 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -138.03 156.4 47.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -141.84 125.7 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.78 -175.67 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -160.43 125.54 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.17 122.47 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.01 129.2 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 tp -119.61 143.98 47.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.8 m -126.63 133.44 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.0 t -101.55 132.25 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.98 129.99 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.123 0 CA-C-O 120.75 0.229 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -145.59 141.04 27.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 mt -93.62 92.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -80.83 -21.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -128.1 128.48 44.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 8.3 t80 -162.17 139.75 6.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.69 132.45 23.48 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -86.56 -177.72 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.05 119.04 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.31 -178.93 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -130.01 167.77 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 p -157.21 132.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -71.4 119.69 15.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 113.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.21 11.9 32.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -97.25 -174.95 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.8 p -122.17 117.55 26.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.84 171.23 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -161.29 109.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.62 115.49 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -114.6 133.29 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.92 97.5 0.73 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 18.8 tttp -57.23 123.26 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.5 m -117.59 136.85 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -129.46 148.01 51.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.89 -103.54 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -149.47 108.16 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.171 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.2 mm-40 -68.17 154.63 93.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.69 160.51 87.68 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.356 -0.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -139.27 120.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -71.58 149.68 45.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.4 m -148.92 108.94 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -119.0 148.9 42.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -112.61 126.52 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.3 mtm -137.12 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -155.56 118.61 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 63.85 38.15 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.9 mmm180 68.46 44.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 5.1 pttp -146.4 126.24 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -72.16 114.47 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.39 140.05 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -100.44 125.92 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.42 139.32 49.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.1 p -174.4 168.66 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.6 -19.76 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -88.51 -37.97 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 52.6 mtp -133.26 106.22 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -103.91 169.75 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -141.92 122.17 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -105.35 81.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.514 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -68.42 134.8 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -159.45 169.81 23.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -39.18 -42.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.27 -131.32 2.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.8 t -151.0 132.22 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.852 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -110.25 146.63 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 tp -125.1 96.72 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -84.41 139.77 32.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.4 mt -121.93 112.93 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -93.68 148.56 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 43.41 50.68 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.67 144.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.479 ' HE ' ' CE1' ' A' ' 74' ' ' HIS . 64.5 mtm180 -129.29 141.96 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' ARG . 6.8 tp60 -35.56 -37.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' HIS . 11.6 pt-20 -60.44 -47.01 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.479 ' CE1' ' HE ' ' A' ' 71' ' ' ARG . 12.0 m80 -37.4 -41.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -37.58 129.71 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.88 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.91 172.93 15.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.425 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.7 p -93.0 132.47 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -97.98 177.67 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -152.79 121.08 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.93 110.78 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 tp -96.67 124.39 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.2 102.3 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 47.8 mt-10 -102.4 154.07 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 18.2 t30 -159.27 153.59 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -35.35 -40.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' N ' ' HD3' ' A' ' 85' ' ' LYS . 48.1 mt -70.86 -72.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.51 -154.96 6.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.419 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 34.5 p -149.19 162.62 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' ' 89' ' ' ARG . 1.4 tpm_? -148.38 163.43 37.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -149.23 136.87 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.16 179.58 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -154.22 137.04 15.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.79 121.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.28 133.78 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 tp -126.99 147.17 50.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 97' ' ' VAL . 95.8 m -135.09 139.43 44.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' N ' HG22 ' A' ' 96' ' ' THR . 99.6 t -107.45 138.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.46 122.37 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.2 t0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -161.71 144.92 12.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -126.38 130.32 50.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.56 -125.64 7.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m 43.58 47.98 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -84.0 -49.54 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . 172.61 168.52 34.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 123.96 10.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.452 ' CG ' HG23 ' A' ' 32' ' ' THR . 6.9 pt20 -134.02 150.86 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.5 97.27 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.79 -24.83 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -121.87 128.64 51.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.1 t80 -166.89 139.64 2.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.73 0.776 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 144.34 53.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -101.83 176.75 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -38.79 114.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -136.48 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -120.12 168.28 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 20' ' ' ARG . 6.1 p -159.27 137.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 18.8 mmt85 -76.89 133.97 39.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 112.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.29 -20.62 25.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 4.0 mm-40 -67.54 -175.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -127.71 123.45 35.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -114.48 155.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -131.92 102.52 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.0 mt -99.39 107.89 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.36 137.89 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.33 90.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -49.98 133.24 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' CG2' ' HA2' ' A' ' 62' ' ' GLY . 34.6 m -125.67 140.63 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.452 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.9 t -126.85 152.83 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.44 -122.52 1.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.4 m -134.26 112.78 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.303 . . . . 0.0 111.141 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -73.68 155.52 89.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.11 88.47 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.377 -0.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.421 ' HB ' ' NE2' ' A' ' 35' ' ' GLN . 43.6 mt -136.57 126.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 39' ' ' CYS . 30.7 m -80.53 144.27 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 38' ' ' THR . 2.0 p -146.41 124.02 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.6 m -125.63 141.89 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -107.98 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.38 172.56 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -152.1 132.53 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 47.02 47.38 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 61.3 43.46 10.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -153.19 110.45 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -54.82 130.18 39.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 49' ' ' GLN . 61.0 mt -72.0 144.52 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.46 ' N ' HG21 ' A' ' 48' ' ' ILE . 9.4 pt20 -106.0 122.13 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -57.81 123.1 14.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.6 p -152.4 -175.75 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.75 1.45 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.44 ' CE1' ' HD2' ' A' ' 71' ' ' ARG . 9.6 m170 -112.38 -28.72 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.588 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 34.7 mtp -138.62 111.15 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -107.23 154.66 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 57' ' ' GLU . 95.2 t -137.57 135.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' N ' HG12 ' A' ' 56' ' ' VAL . 8.2 tp10 -123.72 89.71 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -73.71 122.67 22.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 m -143.76 178.29 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -61.94 -63.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -40.45 -34.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 31' ' ' VAL . . . 162.73 -154.33 25.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.526 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -126.56 138.25 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -117.62 146.1 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD22 ' CD1' ' A' ' 48' ' ' ILE . 11.7 tp -132.3 101.16 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -87.33 138.99 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.7 mt -119.61 98.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.11 145.2 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 51.34 50.1 19.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -36.5 121.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.44 ' HD2' ' CE1' ' A' ' 53' ' ' HIS . 47.8 mtp85 -103.37 163.61 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -31.73 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.67 -31.59 59.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -51.66 -25.18 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.5 t -58.66 121.56 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.85 175.55 34.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.8 t -91.42 128.27 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 2.9 m-85 -97.62 178.3 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.0 m -155.2 115.65 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.3 tp -96.28 111.43 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -96.39 137.57 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.3 105.33 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.14 157.43 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' LEU . 8.0 t30 -166.94 155.01 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ASN . 84.0 tttt -35.86 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' ASN . 96.0 mt -73.55 -74.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 -138.83 3.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 p -160.73 161.82 32.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -154.19 158.31 40.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -148.45 126.39 11.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.53 -179.84 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -153.98 140.8 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.16 135.74 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -91.61 141.63 28.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.85 146.59 49.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 97' ' ' VAL . 64.5 m -137.12 135.48 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.427 ' N ' HG23 ' A' ' 96' ' ' THR . 30.7 t -102.64 131.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.48 122.86 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -95.13 12.61 28.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.72 153.19 38.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -169.84 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.306 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.46 149.25 61.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 164.41 34.62 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.743 2.295 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 150.11 67.91 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.734 2.29 . . . . 0.0 112.319 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.73 145.24 41.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.78 40.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.2 p -101.35 141.85 23.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 0.0 111.154 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.3 8.97 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.5 t 60.78 34.02 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -90.98 -94.85 1.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 m 55.58 38.9 30.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.4 p -113.35 128.14 56.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 64.68 40.79 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -85.9 135.66 33.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.24 147.68 7.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -123.45 98.12 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -101.05 -51.77 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.89 170.09 17.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.7 Cg_endo -69.75 145.79 58.31 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.308 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -149.27 146.78 27.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.1 mt -101.03 92.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.68 -26.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -123.03 125.08 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.5 t80 -160.29 139.5 7.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.8 130.44 19.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -91.77 -179.76 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.97 117.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.2 pt20 -138.32 176.53 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -126.15 170.13 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.1 p -158.98 133.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ALA . 7.5 mmt85 -73.63 116.03 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.42 112.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 10.72 31.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.55 176.28 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.4 p -113.83 118.49 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.16 156.89 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -136.42 105.58 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.5 mt -103.55 98.9 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -111.09 131.23 55.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.44 98.78 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -57.78 127.75 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -119.73 141.05 41.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -133.51 148.88 51.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.1 -99.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 90.4 m -148.1 115.05 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.712 0.291 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.507 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.7 mm-40 -79.37 155.33 76.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.0 Cg_endo -69.69 159.96 88.59 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.385 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.16 124.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 39' ' ' CYS . 10.8 m -73.48 148.82 42.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 38' ' ' THR . 63.1 m -144.95 120.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.3 m -129.23 134.24 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.466 ' CE3' HD21 ' A' ' 65' ' ' LEU . 44.0 m95 -106.56 111.87 24.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtm -118.43 173.68 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -153.6 128.17 9.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 54.06 48.04 21.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 mmt-85 58.73 40.98 22.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -152.54 114.53 4.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -51.69 141.32 16.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 49' ' ' GLN . 95.5 mt -83.17 145.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' N ' HG23 ' A' ' 48' ' ' ILE . 16.3 mm-40 -101.12 120.91 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.29 128.87 39.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.4 p -171.44 161.6 6.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -45.89 -27.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -77.93 -41.84 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.0 mtp -135.01 101.12 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -98.72 165.18 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.19 141.27 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.52 82.55 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' ND2' ' H ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.18 119.81 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 m -142.87 178.51 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.29 -66.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -40.23 -39.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.43 -137.73 4.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -139.65 150.72 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -128.17 154.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 HD21 ' CE3' ' A' ' 41' ' ' TRP . 14.3 tp -131.49 97.22 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 m -88.26 119.27 28.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.6 mt -103.01 117.32 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.492 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.6 mm? -90.83 148.46 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.5 49.26 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.31 105.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -87.06 166.17 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.84 -21.27 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 75' ' ' CYS . 10.5 pt-20 -77.94 -39.99 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -43.15 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.42 ' N ' ' C ' ' A' ' 73' ' ' GLU . 2.0 t -54.34 134.51 45.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.49 -167.57 30.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.12 136.44 47.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.51 161.04 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -141.27 114.35 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 tp -95.41 114.25 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 tp -103.34 127.93 50.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.12 103.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 31.8 mt-10 -106.23 153.98 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.445 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 8.2 p-10 -158.8 -179.11 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -52.78 -47.89 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 86' ' ' LEU . 5.9 mp -62.77 -75.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.04 -136.58 2.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 11.4 p -162.07 169.3 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -152.2 159.81 43.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.4 123.29 11.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.48 173.33 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -146.22 154.34 41.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -158.95 141.99 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -99.31 140.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.9 tp -132.83 151.28 52.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.3 m -140.48 136.74 33.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.5 t -104.81 138.86 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.08 126.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -102.13 16.26 26.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -166.93 152.73 7.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 133.23 25.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.09 145.02 39.02 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.556 0.693 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 138.93 39.1 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -167.03 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.617 2.212 . . . . 0.0 112.325 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.79 54.34 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -102.34 171.57 21.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.4 m -156.03 127.58 3.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 96.07 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.0 m -42.51 -51.57 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.77 149.54 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.439 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 130.98 20.2 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.4 t -125.07 134.33 52.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.4 m -55.55 -51.73 66.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -81.65 42.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -71.77 164.47 25.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.43 -156.23 9.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -78.98 125.1 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' HD12 ' A' ' 86' ' ' LEU . 74.3 m -126.27 137.44 53.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.97 168.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.72 28.63 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.351 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.453 ' CG ' HG21 ' A' ' 32' ' ' THR . 12.3 pt20 -140.49 156.6 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.7 mt -108.67 95.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.48 HG12 ' N ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -78.94 -31.88 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.48 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.7 mp0 -123.39 133.51 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 24.3 t80 -168.76 139.42 1.99 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 138.76 38.42 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 50.7 mt-10 -100.24 174.97 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.3 p-10 -34.29 115.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -135.88 176.06 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -122.49 172.4 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 p -160.15 140.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ALA . 13.2 mmt180 -79.92 112.43 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -34.15 110.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.18 11.9 24.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -103.81 176.64 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.5 p -112.67 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.21 148.89 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -130.52 103.91 6.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.3 mt -103.14 98.58 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -105.59 129.48 53.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.5 92.36 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -54.18 130.13 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 m -125.35 141.58 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.453 HG21 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -129.23 157.74 41.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.55 -114.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -138.14 112.73 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.51 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 35.2 mm-40 -75.26 155.15 86.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.583 0.706 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.78 159.51 89.62 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.328 -0.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.1 mt -134.41 120.64 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -68.36 149.07 49.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.7 m -147.91 108.71 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.0 m -118.06 130.95 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -101.25 119.42 38.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mtm -126.16 170.92 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -152.77 122.65 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 64.12 40.75 6.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 63.67 32.36 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 128.7 23.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.82 132.65 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.78 149.97 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -107.61 120.96 43.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.25 132.06 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.3 p -173.9 165.91 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -51.16 -17.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -88.29 -38.97 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.1 mtp -137.07 105.1 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -101.5 165.5 11.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.77 125.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -105.28 77.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.5 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -68.18 122.49 18.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -152.42 160.55 43.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -40.97 -59.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.04 -40.79 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.82 -134.02 3.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -143.21 137.84 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -123.06 122.37 38.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tp -100.99 102.22 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -92.63 120.59 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.604 ' CG2' ' CE1' ' A' ' 74' ' ' HIS . 46.5 mt -104.08 121.97 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.3 mm? -93.45 151.3 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 41.3 54.51 3.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -36.78 110.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 97' ' ' VAL . 37.6 mtp85 -94.32 167.98 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -39.4 83.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' HIS . 1.1 pp20? -60.35 -45.57 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 27.0 m170 -36.28 -39.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.9 t -42.0 121.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.55 172.8 25.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 52.2 t -91.52 140.0 30.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.5 m-85 -110.4 178.92 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.6 m -158.01 120.04 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.7 tp -100.35 100.65 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 tp -87.56 123.22 32.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.79 107.57 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' LYS . 8.7 t30 -163.92 153.63 14.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' ASN . 54.9 tttt -36.78 -34.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 6' ' ' SER . 47.7 mt -72.72 -72.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.13 -142.01 3.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.1 p -158.79 167.3 29.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -159.23 167.86 27.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -161.27 136.21 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.52 -175.07 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -154.53 125.09 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.21 129.32 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -88.4 145.53 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -131.43 154.0 49.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.9 m -145.05 136.47 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 71' ' ' ARG . 47.9 t -104.31 137.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.4 122.55 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 100' ' ' LYS . 10.8 t70 -90.0 8.21 33.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -146.55 148.15 32.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 178.26 4.73 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.71 2.273 . . . . 0.0 112.35 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.19 149.98 80.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 154.57 67.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.46 30.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.67 -52.17 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.1 -164.86 28.95 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.3 t -131.95 143.72 50.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 111.174 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.16 20.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.6 t -104.2 129.77 51.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.87 83.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.39 6.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.286 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.1 t -119.0 -61.88 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 m -65.06 90.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 p -51.54 105.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -55.4 119.34 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.92 154.84 25.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m 48.39 54.54 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' HD11 ' A' ' 86' ' ' LEU . 1.2 t -80.06 174.16 11.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.26 176.63 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 139.1 39.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.43 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.4 pt20 -142.0 150.23 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 19.5 mt -104.0 95.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -25.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.27 126.1 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 t80 -161.64 139.61 6.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 132.67 23.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.72 -177.95 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 16' ' ' ASP . 1.6 p-10 -43.81 111.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 2.8 pt20 -133.48 176.17 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -124.22 169.98 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.9 p -161.48 136.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -71.46 135.93 47.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.66 111.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.0 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.54 -175.06 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.3 p -124.49 124.4 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -107.73 149.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -132.03 102.09 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.6 mt -102.93 105.62 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 19.3 t80 -113.83 133.31 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 80' ' ' LEU . . . -115.09 88.51 0.47 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . 44.5 tttt -50.02 139.19 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.03 144.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -110.36 -76.76 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.85 -128.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.3 m -141.82 112.05 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.25 153.87 94.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.74 149.57 88.73 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.352 0.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.9 mt -132.52 129.3 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 39' ' ' CYS . 57.5 m -76.04 141.93 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.461 ' N ' HG22 ' A' ' 38' ' ' THR . 1.7 m -136.74 128.66 29.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -132.66 144.02 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -113.24 123.38 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -132.21 167.25 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -149.62 120.92 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 60.44 45.97 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 61.08 36.55 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -147.22 107.28 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -50.91 131.25 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 49' ' ' GLN . 81.9 mt -72.42 149.11 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 48' ' ' ILE . 10.4 pt20 -105.41 125.67 51.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.51 131.37 50.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -175.05 167.23 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.44 -22.53 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -82.73 -39.85 21.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 57.1 mtp -137.96 105.36 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' C ' HG22 ' A' ' 56' ' ' VAL . 15.4 mttp -98.99 165.29 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 57' ' ' GLU . 85.4 t -141.11 135.67 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' N ' HG12 ' A' ' 56' ' ' VAL . 52.2 tt0 -125.04 80.88 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.79 142.56 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.25 -178.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.04 -50.2 28.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -51.8 -39.58 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.76 -128.62 2.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.448 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 9.1 t -143.17 125.53 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.65 148.39 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.8 tp -127.56 98.64 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.8 m -91.92 112.16 23.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.462 HG23 ' NE2' ' A' ' 74' ' ' HIS . 96.2 mt -97.26 121.9 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.3 mm? -93.02 153.45 18.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 41.53 53.73 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.0 93.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ALA . 35.4 mtp85 -79.06 157.17 28.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -54.65 -15.88 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -83.5 -38.0 22.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.462 ' NE2' HG23 ' A' ' 67' ' ' ILE . 17.7 m80 -45.45 -27.76 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.59 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.2 t -54.88 118.03 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.18 41.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.53 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.86 127.74 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 6.2 m-85 -103.26 167.55 9.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.5 m -149.5 116.29 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 12.2 tp -93.03 109.82 21.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.0 tp -100.56 121.56 41.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -120.89 110.45 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.12 158.58 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.3 p-10 -163.21 -176.46 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -57.71 -37.08 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 6' ' ' SER . 91.5 mt -71.93 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.99 -145.38 4.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 p -151.56 174.0 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -161.79 155.92 22.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -141.84 133.74 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . . . -109.23 -178.15 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -155.6 131.25 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 94' ' ' ASN . 2.4 p -142.03 136.67 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.405 ' N ' HG23 ' A' ' 93' ' ' VAL . 9.4 m-80 -101.46 135.78 42.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.415 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 13.4 tp -126.25 152.63 45.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.8 m -139.62 126.09 20.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.8 t -95.45 134.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.52 116.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -87.85 11.05 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -151.81 153.94 32.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -179.53 2.99 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.37 149.99 86.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.709 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.53 51.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.75 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.228 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 58.58 44.71 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -156.48 -51.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 107' ' ' THR . 3.0 t -89.16 119.9 69.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.137 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -24.34 29.84 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.3 p -83.99 75.98 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -135.78 166.64 24.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -177.18 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.9 t -126.01 -50.28 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.4 p -90.16 86.64 6.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -127.45 126.71 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.5 p -128.77 164.44 23.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.1 -48.42 6.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -66.38 85.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -101.87 144.46 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . -46.13 173.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.4 Cg_endo -69.77 139.25 39.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.236 . . . . 0.0 112.327 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.42 ' CG ' HG23 ' A' ' 32' ' ' THR . 5.4 pt20 -143.83 144.37 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -98.84 97.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.57 -23.8 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -123.41 124.71 43.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.4 t80 -160.34 139.9 8.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 131.27 20.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -86.04 -176.41 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -48.05 115.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -133.68 176.33 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -125.64 164.77 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 p -153.34 144.11 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 21' ' ' ALA . 2.2 mmt85 -84.64 114.67 22.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -37.12 111.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.04 2.63 31.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.71 -178.24 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.0 p -119.98 117.12 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -105.47 155.27 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -134.06 91.38 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.5 mt -91.39 113.06 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -120.91 135.92 55.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.69 95.36 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -56.19 134.41 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.22 142.59 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.42 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.5 t -132.72 153.74 50.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.4 -104.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.0 m -148.92 113.25 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 111.16 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.506 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.6 mm-40 -73.35 155.63 89.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.1 Cg_endo -69.84 161.1 87.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.318 0.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.7 mt -135.47 134.94 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 7.3 m -86.46 156.05 20.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 3.7 m -153.64 109.87 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.9 m -119.64 128.28 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -96.26 118.27 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.1 mtm -131.94 162.64 30.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -145.1 136.95 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 51.21 43.06 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 63.64 26.69 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 111.42 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.74 137.08 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.7 mt -82.34 145.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.06 123.08 48.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -47.12 142.3 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.01 179.1 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -70.9 -2.77 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -114.3 -31.46 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.8 mtp -129.7 105.81 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 31.9 mmtt -95.07 -179.07 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 55' ' ' LYS . 69.1 t -161.83 122.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -113.48 92.84 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -85.97 124.44 32.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 m -154.8 164.99 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -44.08 -63.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.17 -39.82 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.82 -152.23 22.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.423 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.2 t -131.97 136.91 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.407 . . . . 0.0 110.866 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -113.64 157.15 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.1 tp -132.99 97.7 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -91.03 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.8 mt -98.74 118.77 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.91 147.78 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.42 52.12 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.89 136.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.8 mtp85 -114.38 162.06 17.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -60.67 -21.52 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.29 -23.97 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -65.8 -13.64 59.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.14 118.75 12.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.12 -155.29 24.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.43 124.22 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -96.7 177.89 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' MET . 53.0 m -162.05 125.63 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -101.05 106.69 18.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.3 tp -94.55 116.65 29.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -115.56 105.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' THR . 15.7 mt-10 -111.21 142.85 42.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.471 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 29.5 p-10 -149.84 -175.01 4.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.99 -32.03 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 43.0 mt -73.76 -74.87 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.74 -139.6 3.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p -156.98 154.23 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.471 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 5.2 tpt180 -143.85 158.24 43.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -146.55 138.02 24.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -115.89 -176.98 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -156.48 125.75 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.72 124.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.79 135.99 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -127.74 153.71 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.5 m -140.72 127.44 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.3 t -99.58 130.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.81 129.63 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -102.23 18.55 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -123.89 149.72 60.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.546 0.688 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.13 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -65.04 151.07 94.38 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 164.7 33.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.728 2.286 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 168.54 21.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.19 111.74 24.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.96 -78.02 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.2 p -75.1 143.7 77.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 111.157 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.6 t -151.84 142.53 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.12 -170.91 29.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.64 19.66 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.8 m -69.44 168.74 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.0 p -117.24 161.98 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -111.05 -57.2 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -124.31 -62.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.8 -99.79 2.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -60.14 96.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.374 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -115.43 -61.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.62 166.02 31.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 138.38 37.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' CG ' HG23 ' A' ' 32' ' ' THR . 19.7 pt20 -144.32 150.79 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mt -106.27 98.98 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.91 -26.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -121.22 121.39 37.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.5 t80 -157.76 139.61 10.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 132.33 23.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -88.79 176.66 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.37 119.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -139.33 173.11 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -121.32 166.6 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 20' ' ' ARG . 3.7 p -158.08 141.05 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' N ' HG23 ' A' ' 19' ' ' VAL . 18.8 mmt85 -75.67 135.55 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.0 111.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.25 -17.26 19.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.63 -174.99 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -128.99 132.39 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.09 152.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -127.28 88.94 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -87.87 100.92 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -111.0 131.09 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.08 100.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -60.61 126.24 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.3 m -117.68 140.95 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.409 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.3 t -127.15 151.44 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.38 -116.88 0.75 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.4 m -134.65 104.36 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.512 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.23 154.32 95.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.82 160.57 87.97 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.323 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.0 mt -137.63 123.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.44 HG21 ' N ' ' A' ' 39' ' ' CYS . 8.5 m -65.21 148.06 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' N ' HG21 ' A' ' 38' ' ' THR . 21.3 m -146.73 109.7 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 83.6 m -123.75 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -108.14 121.79 45.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.8 mtm -128.25 165.38 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -144.2 116.28 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 63.52 40.01 8.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 67.9 43.4 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 15.1 pttt -144.75 125.64 14.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -68.66 113.87 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.49 142.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -100.86 124.46 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.36 127.17 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.8 p -164.28 175.73 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.44 -6.2 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -101.28 -36.58 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.2 mtp -135.77 105.18 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -103.12 165.75 10.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -140.95 127.9 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -110.81 82.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.4 118.68 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 m -136.74 177.05 8.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.13 -60.75 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -45.71 -37.44 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.63 -138.22 4.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -143.57 145.56 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -120.69 139.43 53.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -119.47 95.23 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -83.77 122.74 29.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.4 mt -106.35 102.73 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.5 mm? -82.55 144.23 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 50.02 51.85 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.6 106.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 97' ' ' VAL . 33.6 mtp180 -87.07 177.34 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -72.63 -32.16 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' CYS . 0.9 OUTLIER -66.77 -44.22 81.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -40.26 -31.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' GLU . 13.4 t -50.69 111.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.08 -168.63 41.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.515 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.64 122.34 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -92.34 175.88 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -156.76 121.7 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 tp -99.1 105.55 17.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 tp -94.08 120.63 34.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.0 106.64 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.55 148.05 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.6 t30 -154.01 155.42 35.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -35.63 -38.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.08 -74.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.21 -134.56 2.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 p -166.66 159.41 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -144.37 160.65 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -144.97 141.9 29.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 92' ' ' GLN . . . -119.45 -179.12 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 91' ' ' ALA . 67.8 mt-30 -159.01 121.81 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.49 123.25 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -81.03 140.39 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 tp -130.7 157.59 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.6 m -145.64 134.22 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 71' ' ' ARG . 39.8 t -103.04 135.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.99 113.35 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -88.15 13.83 10.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -149.06 151.18 33.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 144.25 53.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.82 140.0 27.14 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 165.94 29.34 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 132.48 23.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.734 2.289 . . . . 0.0 112.293 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.54 131.84 46.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -43.22 129.25 5.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.39 126.83 14.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.551 0.691 . . . . 0.0 111.188 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.91 7.57 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.734 2.289 . . . . 0.0 112.324 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.7 t -78.92 173.16 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -147.9 120.5 1.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.393 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -149.37 165.58 31.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.9 t -38.76 145.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 m -146.56 112.69 5.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -110.55 173.43 6.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.76 52.48 0.57 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -64.35 84.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' HD13 ' A' ' 86' ' ' LEU . 76.9 p -82.74 138.18 34.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.47 175.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.58 28.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.351 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' CG ' HG22 ' A' ' 32' ' ' THR . 13.6 pt20 -143.86 147.71 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 mt -101.41 98.03 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.8 -25.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.96 132.01 54.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 t80 -162.5 140.63 6.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.7 128.74 16.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.236 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -81.43 169.39 17.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 16' ' ' ASP . 4.1 p-10 -40.0 109.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -124.74 165.67 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.15 167.23 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 20' ' ' ARG . 4.9 p -157.78 136.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' N ' HG21 ' A' ' 19' ' ' VAL . 14.0 mmt85 -77.69 114.11 16.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.68 113.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.13 38.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -98.89 174.97 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.0 p -107.3 120.34 41.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -118.5 170.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -158.74 129.48 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.31 109.69 15.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -111.33 128.85 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.51 96.37 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -54.87 127.34 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m -120.1 141.2 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.465 HG22 ' CG ' ' A' ' 9' ' ' GLN . 5.1 t -128.52 155.24 45.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.59 -106.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -147.57 106.79 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.506 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -67.02 155.08 91.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.91 87.16 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.355 -0.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.1 mt -135.75 120.6 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.0 m -70.94 153.08 42.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.1 m -152.54 106.21 3.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 m -120.63 135.03 55.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -101.45 126.48 48.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mtm -129.74 140.76 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 31.0 tptt -110.35 131.54 54.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 47.5 46.91 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 63.16 27.89 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -132.08 111.83 11.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -45.64 121.93 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.0 147.13 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.82 116.83 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -49.84 137.04 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -175.21 165.03 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.47 -24.72 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -82.8 -39.31 21.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 39.8 mtp -133.35 103.61 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -102.6 166.57 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -140.55 130.87 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -115.94 83.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -67.43 138.03 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -161.43 168.09 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 10.5 tt0 -52.64 -59.43 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -45.53 -38.44 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 165.18 -132.56 2.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -146.75 143.15 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -122.43 125.69 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.49 100.14 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 m -87.3 133.52 33.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.5 mt -116.12 115.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -94.07 149.8 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.14 41.77 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.3 127.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -102.19 169.83 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -65.58 -9.69 28.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -90.1 -27.59 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -56.33 -30.04 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.606 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.33 125.4 22.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 -139.56 5.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.521 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 36.7 m -134.29 112.45 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.53 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 78.0 m-85 -84.15 173.33 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -148.77 112.74 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.4 tp -95.81 114.73 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 tp -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -134.83 99.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -101.34 147.0 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.8 t30 -152.63 153.07 32.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 29.6 ttpt -34.69 -36.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 6' ' ' SER . 85.0 mt -70.07 -73.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.21 -133.01 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 p -166.37 168.08 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.7 tpt85 -157.46 160.86 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 14.2 pt20 -148.41 122.71 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -106.83 174.76 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.458 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.8 mp0 -149.52 144.45 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.9 p -147.95 131.93 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.36 136.57 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.9 tp -128.74 135.99 49.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -118.21 129.17 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.3 t -101.25 136.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.6 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -94.66 10.55 34.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -142.57 142.8 24.13 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.684 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.87 29.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.367 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -97.15 147.74 33.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.623 0.725 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.93 20.15 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 143.37 50.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -172.91 148.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.24 -139.34 10.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 p -54.2 143.03 46.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.554 0.693 . . . . 0.0 111.189 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.75 107.42 1.85 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 108' ' ' PRO . 28.5 t -38.29 145.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -171.91 82.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.66 21.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.8 p -76.39 165.45 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -130.75 42.46 3.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -114.46 128.55 56.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.807 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -103.48 133.13 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.02 -107.09 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -124.02 97.24 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.895 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' GLY . 46.5 p -100.28 137.61 38.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 6' ' ' SER . . . -45.17 172.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 144.79 55.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -149.61 137.57 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.4 mt -92.65 98.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -24.37 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -121.44 123.32 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 5.9 t80 -157.68 140.07 10.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.558 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.83 129.89 18.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 16' ' ' ASP . 80.7 mt-10 -84.8 167.01 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.4 p-10 -34.77 110.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -124.12 -179.83 4.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.6 162.85 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.85 139.72 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.1 mmt85 -76.87 110.73 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -34.7 106.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.01 11.1 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -101.44 -179.37 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.9 p -109.7 121.89 46.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.23 175.4 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 2.4 pp20? -165.45 128.37 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -119.71 111.05 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.41 124.3 50.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.14 99.56 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -57.59 122.06 11.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' CG1' HG13 ' A' ' 82' ' ' VAL . 34.9 m -112.5 140.21 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 t -127.97 148.7 50.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.53 -114.66 0.62 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.5 m -136.63 110.88 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 111.185 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.509 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.22 155.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.2 Cg_endo -69.77 160.96 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.335 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.1 mt -134.68 123.14 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 4.0 m -73.85 151.8 40.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -149.73 115.94 5.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.11 145.64 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -112.3 131.62 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 47' ' ' GLN . 4.9 mtm -136.72 136.3 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -106.29 148.92 27.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 37.58 49.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 56.79 39.03 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . 46.2 tttm -150.23 111.93 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.418 ' HA ' ' CB ' ' A' ' 42' ' ' MET . 15.0 tt0 -37.45 139.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 49' ' ' GLN . 90.2 mt -84.28 154.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.459 ' N ' HG22 ' A' ' 48' ' ' ILE . 8.5 pt20 -107.74 131.69 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.59 131.25 42.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -165.19 -175.39 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.62 3.54 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.497 ' CE1' ' HE ' ' A' ' 71' ' ' ARG . 19.2 m-70 -115.15 -29.58 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.1 mtp -138.7 109.16 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -104.76 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -147.16 128.94 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.05 91.89 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -157.13 172.45 18.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.4 -60.09 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -46.02 -37.3 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.61 -132.86 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -150.46 135.58 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -111.26 137.9 48.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 tp -116.34 96.36 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.2 m -86.01 135.12 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.4 mt -119.08 121.07 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 68' ' ' LEU . 1.8 mm? -96.58 150.1 21.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 33.95 40.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -33.71 138.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.497 ' HE ' ' CE1' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -103.88 176.18 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -67.62 -26.25 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.4 pp20? -70.67 -43.74 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 70' ' ' ALA . 23.2 m170 -37.7 -38.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.6 t -43.8 117.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.02 -146.64 9.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.4 p -128.35 113.07 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.565 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 55.7 m-85 -85.7 143.3 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.6 m -126.89 114.89 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -93.04 106.19 18.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.3 tp -90.8 125.97 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.4 HG13 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -123.42 103.32 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' THR . 39.1 mt-10 -110.17 143.69 39.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -149.11 -175.23 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -60.45 -24.53 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.6 mt -79.71 -73.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.51 -131.49 2.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.9 p -163.55 150.53 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -140.84 155.93 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -141.38 135.11 30.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.05 178.72 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -154.95 118.43 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.404 ' CG1' ' CE2' ' A' ' 13' ' ' PHE . 1.2 p -127.48 129.77 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -84.79 140.17 31.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -134.25 133.1 40.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 97' ' ' VAL . 20.4 m -121.43 135.03 55.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.428 ' N ' HG21 ' A' ' 96' ' ' THR . 55.7 t -106.27 132.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.46 132.92 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -106.91 18.96 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 101' ' ' PRO . 0.2 OUTLIER -169.65 143.22 2.17 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.541 0.686 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.401 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 53.6 Cg_endo -69.78 135.49 30.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.66 148.26 36.94 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.8 69.54 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.402 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 127.34 14.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.79 89.58 8.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.34 -154.84 15.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.7 t -131.97 143.48 49.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 111.166 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 80.64 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.719 2.279 . . . . 0.0 112.367 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.5 t -71.41 112.2 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 46.67 78.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.98 27.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.6 p -106.76 137.42 44.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.6 m -159.58 138.49 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -151.58 114.37 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -125.54 110.33 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.67 -82.04 1.62 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -104.4 67.91 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 m -126.01 84.55 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.38 153.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.32 59.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.63 2.22 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mt -101.91 100.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.78 -23.46 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.46 123.38 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 12.7 t80 -161.32 139.62 7.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 125.34 12.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ASP . 4.6 mm-40 -86.01 172.1 10.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -36.6 113.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -131.29 178.58 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -123.22 168.03 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.12 145.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -81.14 121.77 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.68 106.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.78 3.59 25.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.62 174.79 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 m -111.61 113.23 25.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.51 176.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -169.09 105.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' CZ2' ' A' ' 41' ' ' TRP . 15.1 mt -97.06 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -117.34 135.26 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.03 101.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -62.56 130.32 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.03 140.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.148 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -105.09 -76.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.67 -130.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.9 m -132.26 99.5 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.542 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -67.17 150.97 97.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.879 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.3 Cg_endo -69.76 145.83 80.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.375 -0.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.2 mt -126.36 148.24 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 39' ' ' CYS . 31.2 m -83.11 154.12 24.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.414 ' N ' HG23 ' A' ' 38' ' ' THR . 18.0 m -149.17 129.64 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.6 m -137.09 142.6 42.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.504 ' CZ2' ' O ' ' A' ' 27' ' ' LEU . 61.7 m95 -109.53 125.93 53.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtm -137.75 152.25 49.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.513 ' HZ2' ' N ' ' A' ' 77' ' ' CYS . 25.4 tttp -131.76 134.2 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 53.64 41.92 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 60.53 43.03 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -155.37 105.52 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -38.96 134.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 49' ' ' GLN . 81.1 mt -73.41 156.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' N ' ' CG2' ' A' ' 48' ' ' ILE . 84.1 mt-30 -108.79 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.44 128.13 35.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -165.77 -175.71 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -70.95 -8.61 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -34.77 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.567 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.05 105.13 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -100.97 171.85 7.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.93 128.3 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -110.99 81.37 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.55 129.74 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.8 m -154.99 172.51 17.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tp10 -56.71 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' GLU . 12.3 m-20 -38.12 -41.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.78 -136.69 4.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.408 ' OG ' ' CD1' ' A' ' 41' ' ' TRP . 44.5 t -145.33 143.27 30.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -120.23 148.85 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.7 tp -127.88 100.59 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -91.12 127.99 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.4 mt -110.21 118.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.6 mm? -89.74 149.42 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 37.66 40.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.91 101.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' N ' ' ND1' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -73.65 -174.96 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.89 -29.4 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' HIS . 14.1 pt-20 -69.84 -41.6 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' GLU . 19.6 m80 -36.84 -41.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -42.1 126.82 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.76 -140.06 5.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.513 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 19.5 p -137.83 122.51 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -95.0 173.23 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.5 m -158.27 112.74 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 tp -91.87 116.35 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 tp -102.5 119.88 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -118.67 102.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 46.1 mt-10 -104.34 162.97 12.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' LEU . 18.7 p-10 -165.74 -175.06 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 84.6 mt -76.89 -75.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.13 -135.98 2.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 16.6 p -163.4 154.11 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -136.72 154.88 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -140.56 136.0 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -114.32 179.37 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -156.38 122.03 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -134.05 128.24 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -88.7 140.39 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -126.83 139.53 53.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.3 m -124.96 121.45 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.3 t -93.05 132.26 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.75 119.22 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -98.61 17.14 19.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -60.16 145.36 85.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.693 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 154.54 67.69 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.07 140.49 98.06 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 160.55 49.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.44 40.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.3 77.8 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.5 159.05 10.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.439 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.1 m -109.01 119.49 48.66 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.588 0.708 . . . . 0.0 111.164 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.69 -6.27 18.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' PRO . 97.1 p -36.04 -40.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 165.39 140.91 2.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 152.28 68.89 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -77.52 162.96 26.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.4 t -118.13 151.81 36.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -91.8 115.5 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -48.45 -59.48 3.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.67 -141.02 3.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -63.13 121.83 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -125.29 -63.63 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . 176.74 166.61 34.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 135.86 31.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.314 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' CG ' HG21 ' A' ' 32' ' ' THR . 14.0 pt20 -143.47 151.34 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 23.2 mt -105.14 96.94 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -27.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -120.43 128.62 53.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 13.6 t80 -167.79 139.34 2.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.77 147.47 62.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ASP . 18.5 mt-10 -107.82 175.49 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -34.51 111.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.5 pt20 -133.7 175.45 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -125.78 163.66 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p -155.16 137.17 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -71.67 132.88 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.18 111.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.0 14.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.9 -175.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.7 p -125.51 130.14 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 p -113.45 149.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -128.72 94.95 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -93.41 108.62 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -115.65 133.96 55.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.02 94.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -55.68 137.87 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' A' ' 82' ' ' VAL . 28.0 m -127.37 144.8 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.417 HG21 ' CG ' ' A' ' 9' ' ' GLN . 1.8 t -135.29 150.46 50.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.16 -98.4 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.0 m -153.34 107.21 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.517 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 41.2 mm-40 -69.69 154.9 94.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.77 160.74 87.54 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 -1.791 . . . . 0.0 112.346 0.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.7 mt -137.62 118.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.2 m -72.1 151.5 43.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.5 m -151.46 122.99 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -131.46 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -100.88 124.22 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -129.3 163.09 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -140.68 117.73 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 64.45 43.4 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 63.95 36.48 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -139.85 128.79 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.41 125.07 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.87 151.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -108.76 124.05 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.61 131.06 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.5 t -175.2 166.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -50.94 -24.25 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -80.39 -40.76 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 mtp -137.66 105.56 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -100.73 170.29 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -147.46 133.24 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -113.92 83.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.2 125.56 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m -155.2 163.16 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -45.96 -60.04 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -40.72 -41.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.95 -141.43 7.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -136.89 140.2 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -120.54 151.87 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.2 tp -128.59 98.83 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -89.91 116.97 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.9 mt -101.68 121.86 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.3 mm? -94.71 154.36 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.19 53.77 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.7 101.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -65.79 -19.11 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -82.42 -28.99 31.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -56.78 -32.41 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.597 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.2 t -46.87 136.68 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.52 -177.32 23.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.5 t -97.63 142.7 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.355 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.89 177.66 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.2 m -152.4 108.67 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -90.95 113.49 25.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -98.88 138.8 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.469 HG12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.7 105.06 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -110.66 149.78 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 7.9 p-10 -154.64 179.01 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -54.44 -36.95 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 38.0 mt -68.52 -75.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 -132.39 2.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.434 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.2 p -163.67 158.39 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 89' ' ' ARG . 3.4 tpm_? -148.51 163.58 36.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -154.45 125.91 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -110.04 179.65 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.473 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.5 mp0 -150.73 150.96 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.542 HG13 ' CE2' ' A' ' 13' ' ' PHE . 2.4 p -156.04 123.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.96 142.01 38.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.8 tp -136.78 148.11 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -136.43 147.41 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -114.9 131.11 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.9 118.12 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -93.62 16.08 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -49.64 143.29 11.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.54 0.686 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 166.84 26.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -76.05 155.86 84.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.62 7.37 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 116.31 4.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.8 142.66 32.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.05 -74.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.3 t -45.51 142.37 3.36 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.549 0.69 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 154.61 67.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 t -61.92 -37.55 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -148.16 86.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 158.6 56.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.736 2.291 . . . . 0.0 112.287 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.3 m -133.64 126.4 30.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.5 p -92.52 131.12 37.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -154.25 169.1 24.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -129.35 151.61 49.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.92 120.93 1.06 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.414 ' C ' HD12 ' A' ' 86' ' ' LEU . 89.2 p -94.33 47.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -98.64 -36.37 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.07 168.22 34.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 151.72 69.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.43 141.12 19.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.8 mt -98.64 99.28 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -23.63 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -123.79 123.99 41.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.545 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -159.05 139.86 9.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 125.83 12.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.29 173.82 10.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -39.24 119.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -141.1 170.58 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.39 173.92 6.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 p -162.97 132.22 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.1 122.94 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.07 112.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.79 -4.56 30.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.14 -176.08 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 m -122.11 112.29 18.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.12 167.72 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 1.4 pm0 -159.45 120.63 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -109.85 116.97 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -122.1 123.68 42.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.58 102.66 1.73 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -61.84 133.32 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.69 143.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -111.64 -76.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.58 -112.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.9 m -157.81 109.77 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.659 0.266 . . . . 0.0 111.192 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.5 mm-40 -68.19 153.42 95.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.76 153.82 93.08 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.339 -0.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mt -138.15 128.35 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 m -76.49 146.83 38.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 40.3 m -141.56 123.73 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 41' ' ' TRP . 82.5 m -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.47 ' N ' HG21 ' A' ' 40' ' ' THR . 68.8 m95 -112.99 124.86 53.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -131.01 165.89 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -146.94 115.87 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 63.89 46.43 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? 61.47 41.52 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -153.3 112.09 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.75 129.77 30.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.4 mt -73.36 150.6 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -107.02 128.47 54.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.45 133.67 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -175.21 172.62 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.39 -27.8 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -78.22 -40.95 35.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 62.7 mtp -135.62 104.25 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -97.94 161.58 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.4 t -140.02 129.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -118.3 85.83 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -72.01 134.56 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -158.68 167.61 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.4 tp10 -47.92 -63.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -39.23 -41.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.85 -145.78 10.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 11.1 t -127.8 142.64 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -122.69 147.52 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.6 tp -133.46 104.41 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 m -93.95 138.0 32.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.8 mt -117.6 116.69 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.3 mm? -92.02 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.5 46.43 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.19 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -85.77 168.02 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -62.8 -27.3 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' HIS . 23.7 pt-20 -73.48 -40.82 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' GLU . 10.3 m80 -39.36 -41.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 25.3 t -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.18 -137.14 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.2 p -138.09 131.93 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -109.23 163.73 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -146.7 123.83 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 tp -101.27 105.3 16.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -94.2 120.08 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 89' ' ' ARG . 3.1 m -117.83 115.17 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -117.27 146.23 43.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 25.1 p-10 -149.15 -176.66 5.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.96 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 5' ' ' SER . 97.7 mt -75.5 -75.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.8 -130.77 2.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.4 p -163.25 168.65 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 16.7 tpt180 -156.24 158.82 38.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.36 129.56 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.3 -178.95 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -155.27 131.5 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -142.19 131.54 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -94.45 141.75 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -133.3 150.48 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -137.01 135.19 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.0 t -101.67 136.08 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.0 126.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -100.28 17.81 20.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -65.53 143.22 98.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.45 45.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -89.41 154.21 48.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.734 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 130.99 20.25 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 111.28 2.76 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.78 157.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -169.0 104.32 0.21 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.9 p -118.7 128.19 26.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.86 38.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 73.9 p -81.85 153.36 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.71 -72.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 91.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.747 2.298 . . . . 0.0 112.318 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.5 p -76.2 147.0 38.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.8 m -49.66 -45.61 48.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 m -119.34 142.88 47.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -150.59 168.07 25.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.819 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.01 -122.59 7.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -122.6 94.08 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -105.75 -32.64 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' N ' HD21 ' A' ' 86' ' ' LEU . . . 141.84 170.43 12.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.16 32.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.328 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' CG ' HG22 ' A' ' 32' ' ' THR . 12.0 pt20 -148.12 146.57 28.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 mt -98.16 95.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -26.31 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -125.04 130.38 52.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.0 t80 -165.31 139.56 3.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 137.4 35.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.46 -176.9 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -43.89 113.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.451 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -133.08 172.26 12.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -117.91 169.35 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -159.86 131.76 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 12.4 mmt85 -73.89 117.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -37.72 113.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.09 12.84 30.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -100.54 -178.24 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.2 p -115.8 119.76 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -115.69 150.3 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -134.68 106.32 6.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 mt -101.36 96.25 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.07 131.11 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.31 96.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -56.2 134.75 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.0 m -126.83 145.62 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.449 HG22 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -137.49 145.67 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.4 -99.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 72.4 m -156.72 105.45 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 111.168 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.533 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 30.9 mm-40 -65.96 154.34 89.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.718 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.74 160.9 87.17 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.331 -0.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.8 mt -138.78 126.28 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 m -79.72 146.38 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.1 m -141.07 128.77 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 m -129.31 134.43 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -107.42 109.29 20.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -117.94 172.34 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' NZ ' ' CZ ' ' A' ' 78' ' ' TYR . 18.2 tttp -154.51 121.1 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 60.24 45.24 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 60.71 42.68 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -156.16 110.72 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -47.84 130.79 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.3 mt -75.05 141.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -97.09 126.12 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -60.71 136.92 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -175.4 162.33 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -48.83 -28.25 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.66 -39.41 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtp -132.57 97.55 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -93.04 -179.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -151.85 130.53 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.03 85.28 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -84.01 145.94 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -173.09 -176.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -50.96 -48.35 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -53.36 -38.28 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.99 -127.55 2.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -142.17 136.56 30.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.428 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -120.83 153.63 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 tp -131.28 97.92 4.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -87.09 119.09 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 99.2 mt -102.67 113.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 2.5 mm? -87.99 150.55 23.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 40.51 51.8 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.29 110.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -88.24 156.36 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -58.08 -25.57 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.06 -40.72 27.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -40.67 -35.98 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.4 t -42.54 124.97 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.62 -173.44 42.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.3 t -103.27 129.25 50.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CZ ' ' NZ ' ' A' ' 43' ' ' LYS . 9.6 m-85 -103.5 167.85 9.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.7 m -150.03 128.7 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -106.45 107.86 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 tp -99.26 117.68 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.95 109.79 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -107.51 148.73 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 25.0 t30 -155.47 154.12 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.496 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -32.59 -44.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.433 HD21 ' N ' ' A' ' 7' ' ' GLY . 7.2 mp -67.02 -75.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.94 -158.64 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.2 p -143.97 166.9 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -150.56 156.73 41.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.55 131.45 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.42 -176.14 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -157.69 137.0 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 94' ' ' ASN . 2.7 p -148.21 137.59 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.428 ' N ' HG22 ' A' ' 93' ' ' VAL . 13.3 m-80 -101.19 144.79 29.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.3 tp -135.26 152.5 51.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -138.43 135.62 35.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.9 t -103.03 133.28 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.33 131.92 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -103.32 17.05 24.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -133.17 153.89 80.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 154.9 67.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 152.96 37.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 154.36 67.58 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 143.13 50.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.9 161.86 26.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.07 96.6 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.2 p -104.93 102.71 37.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 111.14 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 132.6 23.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 m -110.26 123.86 50.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 140.72 91.22 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.32 53.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 113' ' ' SER . 93.3 p -76.14 136.47 39.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 112' ' ' SER . 57.7 m 37.18 42.53 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -140.34 134.3 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -120.54 166.12 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.1 -57.55 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -116.44 81.94 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.374 . . . . 0.0 110.82 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -135.02 77.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 149.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 156.45 63.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -147.83 151.96 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.3 98.21 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -22.62 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.17 126.44 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.0 t80 -164.91 139.24 4.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 123.31 9.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ASP . 34.8 mp0 -83.46 173.89 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.85 116.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.818 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.46 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -122.93 169.01 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.6 p -161.78 136.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -72.42 138.52 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.96 110.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.09 -20.1 17.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.16 -175.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -127.0 131.61 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 67' ' ' ILE . 4.7 p -117.01 154.32 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -134.62 100.65 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.8 mt -100.33 108.98 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -118.0 126.87 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.77 98.23 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -62.97 136.77 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.37 143.17 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -106.09 -76.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.2 -136.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.6 m -124.94 99.1 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.526 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -62.95 151.76 85.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.74 153.85 93.03 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.335 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 mt -131.88 131.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 39' ' ' CYS . 47.0 m -74.39 154.03 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 85.9 m -145.73 134.94 22.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 m -141.51 140.55 33.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -109.0 129.46 55.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 mtm -137.68 156.38 48.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -136.83 126.31 25.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 55.78 50.63 13.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 55.75 41.55 30.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -152.16 105.01 3.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -43.8 136.13 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.7 mt -77.12 151.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -112.14 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.29 137.01 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.4 p -173.44 173.55 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.49 -4.7 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -105.23 -35.33 7.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 mtp -135.49 110.47 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 28.9 mmtt -94.94 -176.63 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 55' ' ' LYS . 70.8 t -161.54 122.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -110.64 78.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -77.47 125.52 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -155.78 -177.76 6.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.6 tt0 -58.1 -69.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' GLU . 26.1 m120 -36.75 -36.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.06 -132.5 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.0 t -152.12 144.57 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.878 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -120.43 154.85 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 tp -132.05 94.09 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -85.63 114.53 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.411 ' HB ' ' CG1' ' A' ' 25' ' ' VAL . 43.4 mt -97.91 120.79 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.7 mm? -97.39 147.48 24.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.25 53.33 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.16 108.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -92.14 151.26 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -53.38 -26.58 19.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 pp20? -72.65 -38.41 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 27.6 m170 -45.36 -31.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 39.8 t -50.92 114.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.93 -147.96 9.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.55 126.7 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -102.61 168.16 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.8 m -150.99 118.86 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -97.06 112.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 tp -97.57 120.63 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.38 99.47 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 37.7 mt-10 -98.06 152.91 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.47 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 5.7 p-10 -155.42 -175.05 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -44.41 84.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.81 -72.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -148.29 -135.45 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.459 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 50.9 p -161.8 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -132.72 160.72 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -143.62 138.13 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -117.92 -178.35 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -155.53 133.01 11.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.53 HG13 ' CE2' ' A' ' 13' ' ' PHE . 2.3 p -141.85 119.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -80.35 134.61 36.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -123.21 152.03 41.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.3 m -137.37 131.24 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.15 132.85 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.29 120.98 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -94.8 14.45 21.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -71.7 144.82 88.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 159.59 52.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.81 145.33 39.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.646 0.736 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 148.11 64.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.294 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 92.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -43.77 99.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 107' ' ' THR . . . -152.99 149.73 21.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.513 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' GLY . 15.3 t -36.08 138.03 0.46 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.29 50.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.613 2.208 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.0 m -57.79 93.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.62 -155.89 29.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 131.13 20.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.2 t -69.87 -52.61 23.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 m -59.73 161.24 6.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -103.66 90.88 3.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -63.87 117.1 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.01 -101.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -55.34 118.09 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 2.9 m -85.5 139.98 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.84 176.11 5.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.438 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 141.22 44.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' CG ' HG21 ' A' ' 32' ' ' THR . 10.7 pt20 -151.05 144.46 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.27 96.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -79.07 -25.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -126.0 122.17 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 12.3 t80 -156.97 139.4 10.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 124.38 11.04 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.28 175.52 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.11 126.04 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -145.54 175.01 10.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -123.12 170.53 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 20' ' ' ARG . 4.2 p -159.92 150.11 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.6 mmt85 -87.74 116.46 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.71 109.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 110.7 1.81 28.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.31 178.62 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.4 p -114.67 117.6 31.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.87 154.15 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -134.93 106.2 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.0 mt -107.94 108.42 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 28.2 t80 -121.07 137.11 54.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.9 90.58 0.5 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 15.2 tttm -51.59 134.27 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.28 145.11 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -110.69 -76.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.26 -130.24 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.1 m -140.62 105.46 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.144 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 32.0 mm-40 -65.68 154.03 89.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.8 Cg_endo -69.73 155.81 93.01 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.381 -0.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.9 mt -140.32 130.04 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 39' ' ' CYS . 11.9 m -70.87 150.21 46.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.414 ' N ' HG23 ' A' ' 38' ' ' THR . 3.5 m -145.81 126.23 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.0 m -135.48 138.29 43.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -105.87 120.11 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.4 mtm -134.2 150.46 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -126.6 122.26 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.565 ' CE1' ' SG ' ' A' ' 77' ' ' CYS . 10.5 m-85 57.43 47.14 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 61.98 29.99 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.26 112.15 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -54.27 122.01 9.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.2 mt -66.04 146.9 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -107.35 123.75 48.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.57 134.59 57.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -173.06 168.43 4.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.18 -15.79 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -96.29 -34.39 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.0 mtp -133.08 96.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -95.86 167.7 11.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.7 t -144.79 127.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.27 84.87 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -83.69 128.99 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.39 -175.82 5.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CD ' ' HG3' ' A' ' 35' ' ' GLN . 4.8 tp10 -53.15 -49.03 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -52.47 -39.09 60.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.22 -127.15 1.87 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -145.83 133.21 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.39 148.27 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.8 tp -128.9 97.81 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -88.48 115.89 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.16 108.76 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.3 mm? -85.45 146.64 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.82 49.72 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . -35.27 122.37 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -102.61 164.52 11.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -62.63 -17.09 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 2.6 pt-20 -86.06 -31.63 21.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 16.7 m170 -57.12 -20.47 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.02 134.03 55.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.24 172.0 15.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.565 ' SG ' ' CE1' ' A' ' 44' ' ' PHE . 20.1 p -84.95 141.21 30.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -108.31 177.61 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 89.9 m -155.0 116.81 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -99.88 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -92.87 123.31 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -123.07 99.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -103.94 152.81 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' LEU . 8.3 p-10 -154.39 -175.13 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -31.77 70.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.452 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 80.0 mt -77.51 -75.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -144.3 -135.63 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 p -163.4 155.18 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 26.4 tpt180 -137.53 156.24 48.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -144.73 130.57 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -114.08 -177.55 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -157.27 130.49 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.44 118.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -77.48 142.26 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -137.0 141.35 42.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.8 m -126.49 132.22 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -99.49 132.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.45 123.88 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -94.51 13.52 23.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -149.89 148.97 26.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.561 0.695 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 179.7 3.49 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.751 2.301 . . . . 0.0 112.324 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.12 141.6 31.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 149.46 67.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.407 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.8 7.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.43 -31.34 14.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -102.39 174.7 24.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.5 m -53.06 127.72 46.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.586 0.708 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -48.52 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.2 p -70.68 143.15 51.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.07 68.16 0.39 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.16 4.92 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.4 t -101.41 129.68 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.8 t -128.65 109.08 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -42.79 133.9 3.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -109.78 85.38 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.38 -122.89 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -70.59 98.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -99.86 137.55 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.28 173.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.8 Cg_endo -69.77 140.24 42.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' CG ' HG21 ' A' ' 32' ' ' THR . 18.5 pt20 -147.68 149.9 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.44 98.05 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -24.49 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -124.27 129.84 51.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.2 t80 -165.26 139.68 4.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.76 138.27 37.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -93.11 174.16 7.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.28 115.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -134.3 174.74 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -124.06 163.34 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.07 139.01 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -71.99 133.17 45.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.22 111.44 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.69 -20.57 15.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.82 -176.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.7 p -124.75 126.4 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -111.8 154.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -133.75 100.76 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -99.67 106.44 18.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -114.93 132.17 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.66 102.43 0.95 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -61.23 127.17 30.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.8 m -118.97 142.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.474 HG21 ' CG ' ' A' ' 9' ' ' GLN . 7.7 t -131.07 154.9 47.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.71 -99.05 0.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -154.2 111.03 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.686 0.279 . . . . 0.0 111.126 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 33.8 mm-40 -72.77 155.23 90.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.71 161.18 86.59 Favored 'Cis proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.381 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -136.97 125.65 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.6 m -72.86 151.37 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -149.9 117.36 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 41' ' ' TRP . 92.7 m -129.34 138.66 51.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.45 ' N ' HG21 ' A' ' 40' ' ' THR . 48.6 m95 -106.25 118.17 35.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mtm -128.75 137.62 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' CE ' ' HA3' ' A' ' 76' ' ' GLY . 21.2 tttt -114.04 122.05 45.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 58.02 47.21 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 61.32 29.91 18.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -128.61 114.96 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -57.5 121.68 10.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 49' ' ' GLN . 75.2 mt -71.68 143.15 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.411 ' N ' HG23 ' A' ' 48' ' ' ILE . 67.5 mt-30 -106.44 119.81 40.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.86 133.91 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.49 178.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -63.72 -15.81 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -90.86 -37.94 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.98 106.61 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -101.95 167.63 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -144.61 132.19 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -114.2 82.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.65 118.47 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.7 m -136.43 -179.85 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -65.46 -60.49 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -45.92 -38.59 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 172.08 -142.21 6.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -139.34 139.36 37.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -112.55 153.42 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.4 tp -132.79 95.74 3.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.0 m -86.23 127.34 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.427 HG21 ' CE1' ' A' ' 74' ' ' HIS . 78.9 mt -110.56 114.7 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.8 mm? -89.23 149.64 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 43.18 53.68 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.63 93.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ALA . 32.7 mtp85 -77.51 152.69 34.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -53.1 -17.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -80.44 -33.49 36.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CE1' HG21 ' A' ' 67' ' ' ILE . 16.9 m170 -51.38 -32.51 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.84 125.03 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.463 ' HA3' ' CE ' ' A' ' 43' ' ' LYS . . . 152.24 178.99 27.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.2 p -96.59 135.24 38.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.7 m-85 -102.61 175.46 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.4 m -153.35 119.09 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -97.67 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 tp -97.0 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.84 104.04 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.89 153.26 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 11.5 p-10 -162.2 174.19 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -45.57 -49.79 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.11 -76.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.99 -143.33 3.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 p -153.58 169.75 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -155.97 159.89 39.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.51 138.16 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.0 -178.56 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -154.25 122.36 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.38 119.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -76.61 146.58 38.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -143.27 151.04 40.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.4 m -142.22 144.39 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.9 t -110.56 131.1 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.64 118.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -89.73 10.64 22.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -133.43 152.62 79.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.541 0.686 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 149.52 67.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 11.6 t70 -127.32 140.42 37.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 54.1 Cg_endo -69.72 167.66 23.73 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.22 . . . . 0.0 112.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 120.74 7.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.37 95.73 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 169.8 -149.46 13.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.9 p -106.94 126.21 30.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.552 0.692 . . . . 0.0 111.156 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.04 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.652 2.234 . . . . 0.0 112.391 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.1 p -168.58 145.66 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.24 -140.23 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.19 63.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.7 t -105.87 106.98 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -73.0 109.78 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -52.26 151.69 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -119.43 121.86 40.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.87 -147.45 19.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -74.11 103.76 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' HD11 ' A' ' 86' ' ' LEU . 26.5 t -103.04 138.28 40.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.13 175.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 133.05 24.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.314 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.469 ' CG ' HG21 ' A' ' 32' ' ' THR . 13.0 pt20 -141.99 151.36 42.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -104.14 96.88 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -25.36 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -168.96 139.88 1.96 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 131.92 22.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.4 -175.66 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -46.27 114.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.461 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.3 pt20 -137.57 171.41 14.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -119.48 169.35 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 p -160.41 132.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -70.4 125.5 26.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.32 111.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.14 -32.69 5.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.12 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.0 p -128.05 129.49 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.76 158.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -134.97 85.63 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.1 mt -84.44 106.67 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -118.15 129.03 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.48 96.96 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.463 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -56.57 128.01 34.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.09 141.77 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.469 HG21 ' CG ' ' A' ' 9' ' ' GLN . 3.2 t -131.33 156.78 44.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.79 -100.57 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -151.63 105.69 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.712 0.291 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.21 154.66 94.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.8 160.83 87.47 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.382 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.87 129.12 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 39' ' ' CYS . 32.9 m -78.21 149.4 33.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' N ' HG21 ' A' ' 38' ' ' THR . 59.9 m -146.63 107.44 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -112.52 139.55 48.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -108.66 120.85 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 mtm -130.35 171.97 12.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 22.1 tttm -156.15 123.74 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 64.79 38.78 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 63.1 41.94 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.72 125.86 9.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.64 132.82 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.08 144.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -103.15 115.0 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.57 136.06 27.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' MET . 3.5 t -173.79 157.91 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.08 -20.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' SER . 5.6 m170 -87.08 -38.7 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 24.6 mtp -133.17 102.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -101.82 169.83 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.6 t -142.67 138.87 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -120.73 82.48 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -69.65 131.56 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -157.1 175.39 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.23 -63.82 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -38.97 -42.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.65 -134.4 3.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.421 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 25.6 t -141.04 148.23 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -126.91 147.84 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.3 tp -128.12 97.47 4.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -86.55 119.41 26.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -103.31 107.07 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 1.9 mm? -84.51 146.72 27.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.36 53.6 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.47 111.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -91.64 151.68 20.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -55.35 -29.16 57.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 74' ' ' HIS . 10.0 pt-20 -73.77 -42.14 61.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' GLU . 18.6 m80 -38.29 -36.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.8 t -42.14 115.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.6 170.67 33.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -88.8 130.0 35.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -101.69 175.13 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.7 m -152.39 126.11 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -104.97 105.47 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.62 121.15 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.67 109.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -108.47 140.15 42.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.3 t30 -148.84 157.46 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.475 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 17.0 tptt -34.65 -46.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 6' ' ' SER . 80.8 mt -60.51 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.0 -131.43 2.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.0 p -164.53 176.95 8.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.6 tpt85 -165.77 159.87 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -149.99 126.27 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.04 -175.54 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -156.87 142.74 17.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.54 141.42 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -100.23 128.54 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.0 tp -123.66 156.28 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.4 m -144.5 139.53 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.42 135.99 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.46 123.17 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -100.78 14.87 30.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.99 152.53 16.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 146.8 61.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.642 2.228 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t70 -80.32 140.86 52.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 54.2 Cg_endo -69.74 154.52 67.73 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.375 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 111.41 2.81 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.29 173.48 6.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 157.15 -105.21 0.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.2 p -145.56 151.11 45.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.711 . . . . 0.0 111.112 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -30.58 22.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.2 p -139.42 139.55 37.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -173.97 73.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 97.03 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 51.9 m -48.89 134.55 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.6 m -102.26 93.64 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 42.71 43.03 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -129.14 153.66 47.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.48 74.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -83.47 86.79 7.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -92.51 -59.47 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' HA2' ' CD1' ' A' ' 86' ' ' LEU . . . 166.35 174.77 36.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.461 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.8 Cg_endo -69.74 135.97 31.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.316 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' CG ' HG21 ' A' ' 32' ' ' THR . 12.2 pt20 -145.76 152.87 40.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 91' ' ' ALA . 22.9 mt -106.66 96.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -26.03 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.08 129.12 50.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 10.3 t80 -164.3 139.65 4.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.77 135.06 29.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -91.47 -177.68 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -46.91 114.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -137.75 167.94 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -113.45 169.98 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -163.41 129.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.73 131.83 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.35 111.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.62 -24.69 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -62.46 -177.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.5 p -123.66 124.91 43.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.441 ' CG1' ' HB ' ' A' ' 67' ' ' ILE . 4.0 p -113.05 153.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.45 89.9 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -88.08 104.48 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -114.4 124.54 52.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.59 93.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -52.1 125.11 14.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -118.83 141.57 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.457 HG21 ' CG ' ' A' ' 9' ' ' GLN . 5.9 t -130.68 153.17 49.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.13 -110.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -144.91 105.65 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.524 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.7 mm-40 -67.98 155.01 92.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.7 160.9 87.08 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.332 -0.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -139.75 136.68 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.0 m -82.52 153.1 25.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.8 m -154.76 105.15 2.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.7 m -117.23 137.92 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -101.09 126.06 47.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' THR . 16.6 mtm -135.3 156.92 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -131.75 116.12 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 60.11 47.25 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 63.19 33.19 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -134.21 112.8 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.99 125.65 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 49' ' ' GLN . 87.6 mt -72.81 141.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.454 ' N ' HG21 ' A' ' 48' ' ' ILE . 49.5 mt-30 -103.65 113.72 27.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -45.76 137.19 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -170.62 -175.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.99 -16.87 62.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 19.8 m-70 -92.7 -36.55 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.598 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.42 ' HE3' ' CD1' ' A' ' 48' ' ' ILE . 41.3 mtp -132.52 107.04 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' HG23 ' A' ' 56' ' ' VAL . 27.5 mtmt -103.05 176.82 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 55' ' ' LYS . 97.6 t -147.7 137.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -124.02 85.97 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.72 131.42 46.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -152.62 170.2 20.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.63 -59.39 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -45.02 -37.07 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 167.54 -137.35 4.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -139.72 136.14 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -112.65 136.36 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -116.96 97.33 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -83.0 126.51 32.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.566 HG21 ' CD2' ' A' ' 74' ' ' HIS . 85.0 mt -110.95 107.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -88.54 146.43 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 49.59 53.27 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.68 94.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.495 ' N ' ' ND1' ' A' ' 74' ' ' HIS . 49.4 ttt85 -83.09 152.79 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -45.75 -43.75 13.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.5 pt-20 -54.04 -44.65 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CD2' HG21 ' A' ' 67' ' ' ILE . 78.0 m80 -44.12 -36.45 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.2 t -45.18 123.2 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 148.3 175.79 21.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.0 140.7 29.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.08 -176.45 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' MET . 57.9 m -158.95 119.01 3.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -98.42 103.31 15.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 tp -89.23 137.08 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 89' ' ' ARG . 1.2 m -136.86 105.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -112.19 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.445 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 7.7 p-10 -148.98 -179.82 7.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -53.5 -39.06 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 ' CD1' ' HA2' ' A' ' 7' ' ' GLY . 93.7 mt -67.96 -74.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.5 -136.38 2.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 p -158.71 164.11 36.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 32.2 tpt85 -152.83 157.36 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.12 130.58 17.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . . . -107.17 -176.71 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -155.74 133.63 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.78 125.01 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -86.13 135.26 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -129.81 145.14 51.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -132.73 131.96 41.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.8 t -100.8 134.27 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.65 117.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -92.5 13.89 18.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.83 152.79 37.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 171.43 14.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -56.79 144.02 67.82 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.53 69.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.38 63.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.42 130.62 17.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.08 -177.05 49.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.7 m -118.07 123.48 29.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 0.0 111.156 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.9 35.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.1 p -95.96 134.42 38.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -85.44 170.05 44.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 141.4 45.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.6 p -83.05 146.61 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 m -42.35 137.33 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 m -85.69 150.96 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -108.2 112.64 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.31 -86.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 p -74.79 121.74 22.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.788 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -112.45 123.64 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.34 173.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.49 33.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.466 ' CG ' HG21 ' A' ' 32' ' ' THR . 21.7 pt20 -145.89 148.48 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 mt -99.12 97.18 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.475 HG12 ' N ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -79.5 -31.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.1 mp0 -122.86 140.16 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.8 t80 -170.34 139.7 1.48 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 130.63 19.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -90.09 179.74 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -43.74 118.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -139.44 178.67 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -124.04 168.67 12.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.85 136.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.55 131.14 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.31 112.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 113.3 -24.36 12.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -66.26 -175.04 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.5 p -127.6 122.88 34.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.73 160.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.95 89.16 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.2 mt -87.98 95.85 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -107.08 129.08 54.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.97 96.49 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 24.8 tttp -56.08 138.97 48.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.52 151.42 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 9' ' ' GLN . 4.3 t -141.05 150.39 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.71 -109.84 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -143.51 105.82 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 40.2 mm-40 -68.61 154.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.73 160.84 87.26 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.328 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.12 131.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -81.05 152.93 27.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.9 m -154.04 119.75 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -127.02 136.09 51.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -104.5 114.9 29.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -121.21 150.0 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 77' ' ' CYS . 24.2 tttt -129.78 122.32 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 63.75 44.34 5.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 60.87 39.06 17.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -150.92 120.89 7.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -52.12 126.51 18.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.61 144.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -96.01 121.8 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.07 122.6 15.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -161.18 164.5 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.28 -20.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -85.61 -39.38 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.2 mtp -134.62 100.96 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.6 168.62 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.0 t -145.1 128.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -120.32 85.58 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -81.41 141.2 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.83 -175.94 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 45.3 tt0 -53.04 -45.62 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.48 -38.55 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.15 -126.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t -146.88 130.85 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 110.829 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -116.63 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.6 tp -113.09 96.84 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -86.97 119.31 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.24 112.43 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -90.46 146.44 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.93 49.26 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.168 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.26 117.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -95.53 171.28 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -66.72 -28.13 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.472 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.2 pp20? -72.96 -45.14 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.472 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 25.5 m170 -36.75 -40.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.6 t -46.48 118.87 2.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.41 -134.47 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 26.5 p -137.26 145.25 43.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 4.2 m-85 -119.29 170.82 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.6 m -151.15 122.89 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -100.09 110.95 23.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 tp -102.12 118.63 37.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.08 108.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -110.09 144.14 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.5 t30 -149.62 156.61 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -38.37 -31.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.57 -74.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.19 -132.74 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.502 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.4 p -168.62 164.01 12.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -151.34 158.77 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -147.52 133.58 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -119.9 -175.74 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -156.93 141.96 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -145.61 130.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.16 128.4 37.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.6 tp -120.12 152.7 37.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.3 m -137.57 139.22 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.3 t -108.53 134.36 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.49 120.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -92.58 15.04 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -71.68 155.57 92.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 175.15 8.44 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.644 2.23 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 1.4 t70 -103.0 141.15 21.88 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.55 0.691 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 53.7 Cg_endo -69.76 145.25 56.56 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 91.49 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.397 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.47 130.71 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.2 -150.95 12.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.549 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.3 p -87.26 121.88 71.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.53 0.681 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.95 13.06 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 t -64.61 161.11 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.16 -94.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.9 Cg_endo -69.8 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 111' ' ' PRO . 82.1 p -34.93 128.44 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 m -50.66 172.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -84.16 139.07 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 m -55.67 -47.49 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.5 -65.36 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' C ' HD23 ' A' ' 86' ' ' LEU . 4.6 m -79.13 75.83 5.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -127.19 73.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.817 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.43 155.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' CG ' ' HA ' ' A' ' 88' ' ' SER . 53.5 Cg_endo -69.74 147.11 62.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.315 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -155.01 127.95 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mt -89.12 98.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 32' ' ' THR . 0.3 OUTLIER -81.51 -19.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -124.04 119.28 29.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 5.2 t80 -158.07 140.38 10.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.79 132.08 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 44.5 mt-10 -88.52 173.05 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 16' ' ' ASP . 2.6 p-10 -37.24 111.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -130.6 171.33 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -115.66 169.47 9.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -159.43 139.2 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.1 mmt180 -80.03 113.76 18.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -35.11 110.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.64 6.62 30.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -95.23 -175.28 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 p -122.45 118.55 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -109.38 154.98 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.67 99.23 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 mt -103.0 101.69 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -120.36 141.46 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.81 109.58 1.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -67.56 126.09 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -106.81 145.49 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.457 ' CG2' HD13 ' A' ' 11' ' ' ILE . 2.1 p -105.83 -32.79 8.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' CA ' HD11 ' A' ' 37' ' ' ILE . . . -38.96 161.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.9 m -63.91 134.17 54.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 25.8 mm-40 -86.97 156.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.3 Cg_endo -69.75 162.65 83.67 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.3 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.458 HD11 ' CA ' ' A' ' 33' ' ' GLY . 51.0 mt -133.42 121.95 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.1 m -64.16 157.5 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.8 m -150.01 126.06 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.3 m -137.39 113.86 10.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -89.66 119.99 30.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 79' ' ' THR . 13.6 mtm -132.65 135.99 46.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 58.55 45.79 15.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 63.07 30.16 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -127.91 111.85 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.52 127.17 26.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 49' ' ' GLN . 63.4 mt -78.61 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' N ' HG23 ' A' ' 48' ' ' ILE . 16.5 mp0 -105.08 118.42 36.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -49.59 135.93 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 t -175.04 165.27 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -53.1 -22.71 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -87.46 -37.05 17.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.417 ' CE ' HG21 ' A' ' 48' ' ' ILE . 42.5 mtp -133.66 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -96.82 167.44 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' C ' ' OE2' ' A' ' 57' ' ' GLU . 53.4 t -144.34 124.04 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.6 mp0 -112.22 106.04 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -92.39 133.74 35.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -165.4 168.17 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.8 OUTLIER -39.15 -70.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' GLU . 78.0 m-20 -35.07 -41.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.86 -134.7 4.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.1 t -131.0 150.99 51.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -133.21 128.92 36.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 tp -108.04 99.88 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -88.91 116.11 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.2 mt -99.95 114.57 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.1 mm? -92.59 149.94 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.53 50.89 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.91 110.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -89.91 162.36 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -66.87 -6.76 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -95.44 -36.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -47.57 -31.5 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.64 121.17 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.86 -151.91 13.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 54.0 t -123.7 102.65 7.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.37 158.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' MET . 27.7 m -141.9 114.92 8.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.7 tp -92.58 108.28 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.73 115.75 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.08 99.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 32.8 mt-10 -102.12 153.31 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.458 ' ND2' HD11 ' A' ' 86' ' ' LEU . 9.2 p-10 -159.14 179.4 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -52.17 -42.78 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 3.9 mp -67.47 -75.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.31 -142.68 3.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.446 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 12.8 p -157.56 155.24 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -138.03 156.4 47.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -141.84 125.7 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.78 -175.67 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -160.43 125.54 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.17 122.47 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.01 129.2 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 tp -119.61 143.98 47.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.8 m -126.63 133.44 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.0 t -101.55 132.25 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.98 129.99 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -99.58 14.77 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -47.71 154.08 0.98 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 166.83 26.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.28 142.81 92.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.8 33.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.88 11.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.306 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.35 113.51 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.87 -167.1 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.6 p -40.51 141.35 0.89 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.573 0.701 . . . . 0.0 111.151 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.27 25.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 t 70.76 38.34 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -125.4 -92.06 0.89 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 179.7 3.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.748 2.298 . . . . 0.0 112.326 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.5 t -165.75 142.59 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -111.23 147.91 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 m -110.63 -60.29 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -71.62 97.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.6 155.35 12.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m -60.12 144.36 49.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -118.27 -73.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.28 171.05 31.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.22 32.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -145.59 141.04 27.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 mt -93.62 92.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -80.83 -21.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -128.1 128.48 44.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 8.3 t80 -162.17 139.75 6.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.69 132.45 23.48 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -86.56 -177.72 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.05 119.04 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.31 -178.93 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -130.01 167.77 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 p -157.21 132.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -71.4 119.69 15.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 113.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.21 11.9 32.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -97.25 -174.95 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.8 p -122.17 117.55 26.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.84 171.23 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -161.29 109.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.62 115.49 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -114.6 133.29 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.92 97.5 0.73 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 18.8 tttp -57.23 123.26 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.5 m -117.59 136.85 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -129.46 148.01 51.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.89 -103.54 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -149.47 108.16 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.171 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.2 mm-40 -68.17 154.63 93.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.69 160.51 87.68 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.356 -0.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -139.27 120.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -71.58 149.68 45.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.4 m -148.92 108.94 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -119.0 148.9 42.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -112.61 126.52 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.3 mtm -137.12 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -155.56 118.61 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 63.85 38.15 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.9 mmm180 68.46 44.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 5.1 pttp -146.4 126.24 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -72.16 114.47 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.39 140.05 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -100.44 125.92 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.42 139.32 49.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.1 p -174.4 168.66 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.6 -19.76 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -88.51 -37.97 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 52.6 mtp -133.26 106.22 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -103.91 169.75 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -141.92 122.17 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -105.35 81.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.514 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -68.42 134.8 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -159.45 169.81 23.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -39.18 -42.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.27 -131.32 2.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.8 t -151.0 132.22 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.852 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -110.25 146.63 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 tp -125.1 96.72 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -84.41 139.77 32.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.4 mt -121.93 112.93 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -93.68 148.56 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 43.41 50.68 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.67 144.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' HE ' ' CE1' ' A' ' 74' ' ' HIS . 64.5 mtm180 -129.29 141.96 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' ARG . 6.8 tp60 -35.56 -37.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' HIS . 11.6 pt-20 -60.44 -47.01 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.479 ' CE1' ' HE ' ' A' ' 71' ' ' ARG . 12.0 m80 -37.4 -41.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -37.58 129.71 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.88 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.91 172.93 15.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.425 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.7 p -93.0 132.47 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -97.98 177.67 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -152.79 121.08 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.93 110.78 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 tp -96.67 124.39 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.2 102.3 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 47.8 mt-10 -102.4 154.07 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 18.2 t30 -159.27 153.59 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -35.35 -40.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' N ' ' HD3' ' A' ' 85' ' ' LYS . 48.1 mt -70.86 -72.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.51 -154.96 6.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.419 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 34.5 p -149.19 162.62 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' ' 89' ' ' ARG . 1.4 tpm_? -148.38 163.43 37.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -149.23 136.87 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.16 179.58 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -154.22 137.04 15.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.79 121.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.28 133.78 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 tp -126.99 147.17 50.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 97' ' ' VAL . 95.8 m -135.09 139.43 44.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' N ' HG22 ' A' ' 96' ' ' THR . 99.6 t -107.45 138.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.46 122.37 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -95.39 16.66 16.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -40.21 142.94 0.67 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.694 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.76 4.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -70.94 147.31 93.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.26 47.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.272 . . . . 0.0 112.345 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 152.27 69.53 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.383 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.13 86.01 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -175.59 -174.92 42.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 p -134.81 152.67 77.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.15 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 p -60.81 156.14 17.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.71 149.78 7.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 101.13 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.3 p -56.27 137.35 52.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.6 m -46.93 149.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' THR . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.738 0.224 . . . . 0.0 112.39 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.473 ' HG2' HG23 ' A' ' 32' ' ' THR . 6.9 pt20 -134.02 150.86 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.5 97.27 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.79 -24.83 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -121.87 128.64 51.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.1 t80 -166.89 139.64 2.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.73 0.776 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.581 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 144.34 53.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -101.83 176.75 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -38.79 114.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -136.48 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -120.12 168.28 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.1 p -159.27 137.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 18.8 mmt85 -76.89 133.97 39.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 112.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.29 -20.62 25.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 4.0 mm-40 -67.54 -175.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -127.71 123.45 35.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.75 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.6 p -114.48 155.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -131.92 102.52 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.0 mt -99.39 107.89 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.36 137.89 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -125.33 90.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HB3' HD11 ' A' ' 11' ' ' ILE . 33.3 tttt -49.98 133.24 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.057 HG11 HG11 ' A' ' 82' ' ' VAL . 34.6 m -125.67 140.63 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.473 HG23 ' HG2' ' A' ' 9' ' ' GLN . 1.9 t -126.85 152.83 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.44 -122.52 1.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.434 ' OG1' HD11 ' A' ' 86' ' ' LEU . 92.4 m -134.26 112.78 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.303 . . . . 0.0 111.141 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -73.68 155.52 89.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.11 88.47 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.377 -0.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.433 ' HB ' ' NE2' ' A' ' 35' ' ' GLN . 43.6 mt -136.57 126.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.7 m -80.53 144.27 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 p -146.41 124.02 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.6 m -125.63 141.89 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.9 m95 -107.98 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.38 172.56 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -152.1 132.53 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 47.02 47.38 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 61.3 43.46 10.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -153.19 110.45 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -54.82 130.18 39.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.0 mt -72.0 144.52 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -106.0 122.13 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -57.81 123.1 14.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.6 p -152.4 -175.75 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.75 1.45 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -112.38 -28.72 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.588 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 34.7 mtp -138.62 111.15 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -107.23 154.66 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.57 135.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -123.72 89.71 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -73.71 122.67 22.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 m -143.76 178.29 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -61.94 -63.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -40.45 -34.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.826 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 162.73 -154.33 25.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.526 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -126.56 138.25 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -117.62 146.1 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -132.3 101.16 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -87.33 138.99 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.75 ' HB ' HG12 ' A' ' 25' ' ' VAL . 84.7 mt -119.61 98.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.11 145.2 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 51.34 50.1 19.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -36.5 121.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.856 ' O ' HG21 ' A' ' 97' ' ' VAL . 47.8 mtp85 -103.37 163.61 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -60.37 -31.73 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.67 -31.59 59.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -51.66 -25.18 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.548 ' HB2' HG23 ' A' ' 97' ' ' VAL . 2.5 t -58.66 121.56 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.85 175.55 34.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.8 t -91.42 128.27 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 2.9 m-85 -97.62 178.3 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.0 m -155.2 115.65 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.3 tp -96.28 111.43 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -96.39 137.57 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.057 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.3 105.33 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.14 157.43 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' LEU . 8.0 t30 -166.94 155.01 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ASN . 84.0 tttt -35.86 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' ASN . 96.0 mt -73.55 -74.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 -138.83 3.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 p -160.73 161.82 32.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.5 tpt180 -154.19 158.31 40.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -148.45 126.39 11.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.53 -179.84 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -153.98 140.8 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.16 135.74 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -91.61 141.63 28.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.85 146.59 49.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.5 m -137.12 135.48 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.856 HG21 ' O ' ' A' ' 71' ' ' ARG . 30.7 t -102.64 131.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.48 122.86 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.762 0.234 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.534 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.7 pt20 -149.27 146.78 27.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 91' ' ' ALA . 28.1 mt -101.03 92.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -78.68 -26.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -123.03 125.08 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.5 t80 -160.29 139.5 7.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.8 130.44 19.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -91.77 -179.76 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.97 117.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.2 pt20 -138.32 176.53 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -126.15 170.13 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.1 p -158.98 133.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ALA . 7.5 mmt85 -73.63 116.03 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.42 112.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 10.72 31.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.55 176.28 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.4 p -113.83 118.49 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.554 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -109.16 156.89 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -136.42 105.58 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 65' ' ' LEU . 38.5 mt -103.55 98.9 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' HB2' ' CE ' ' A' ' 64' ' ' LYS . 8.7 t80 -111.09 131.23 55.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.44 98.78 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HB3' HD11 ' A' ' 11' ' ' ILE . 31.6 tttt -57.78 127.75 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.038 HG11 HG11 ' A' ' 82' ' ' VAL . 34.2 m -119.73 141.05 41.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.534 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.7 t -133.51 148.88 51.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.1 -99.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' HD13 ' A' ' 86' ' ' LEU . 90.4 m -148.1 115.05 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.712 0.291 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.7 mm-40 -79.37 155.33 76.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.0 Cg_endo -69.69 159.96 88.59 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.385 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.16 124.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.8 m -73.48 148.82 42.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' SG ' HG12 ' A' ' 82' ' ' VAL . 63.1 m -144.95 120.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.3 m -129.23 134.24 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.529 ' HB3' HD12 ' A' ' 48' ' ' ILE . 44.0 m95 -106.56 111.87 24.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtm -118.43 173.68 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -153.6 128.17 9.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 54.06 48.04 21.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 mmt-85 58.73 40.98 22.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -152.54 114.53 4.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -51.69 141.32 16.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 41' ' ' TRP . 95.5 mt -83.17 145.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -101.12 120.91 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.29 128.87 39.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.4 p -171.44 161.6 6.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.9 tp10 -45.89 -27.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -77.93 -41.84 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.0 mtp -135.01 101.12 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -98.72 165.18 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.19 141.27 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.52 82.55 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 119.81 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 m -142.87 178.51 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.29 -66.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -40.23 -39.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.552 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 166.43 -137.73 4.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -139.65 150.72 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' CE ' ' HB2' ' A' ' 28' ' ' PHE . 30.6 ttmt -128.17 154.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 27' ' ' LEU . 14.3 tp -131.49 97.22 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 m -88.26 119.27 28.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.554 ' HB ' HG12 ' A' ' 25' ' ' VAL . 76.6 mt -103.01 117.32 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.6 mm? -90.83 148.46 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.5 49.26 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.31 105.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.576 ' O ' HG21 ' A' ' 97' ' ' VAL . 34.8 mtp85 -87.06 166.17 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.84 -21.27 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 75' ' ' CYS . 10.5 pt-20 -77.94 -39.99 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -43.15 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.42 ' N ' ' C ' ' A' ' 73' ' ' GLU . 2.0 t -54.34 134.51 45.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.49 -167.57 30.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.12 136.44 47.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.51 161.04 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -141.27 114.35 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 tp -95.41 114.25 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 89' ' ' ARG . 24.3 tp -103.34 127.93 50.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.038 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -126.12 103.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 31.8 mt-10 -106.23 153.98 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 8.2 p-10 -158.8 -179.11 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -52.78 -47.89 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 86' ' ' LEU . 5.9 mp -62.77 -75.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.04 -136.58 2.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.455 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 11.4 p -162.07 169.3 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.558 ' O ' HD12 ' A' ' 81' ' ' LEU . 24.4 tpt85 -152.2 159.81 43.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.4 123.29 11.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -108.48 173.33 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -146.22 154.34 41.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -158.95 141.99 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -99.31 140.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.9 tp -132.83 151.28 52.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.3 m -140.48 136.74 33.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 71' ' ' ARG . 40.5 t -104.81 138.86 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.08 126.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.73 0.221 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.452 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.3 pt20 -140.49 156.6 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 91' ' ' ALA . 30.7 mt -108.67 95.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.94 -31.88 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.506 ' NE2' HG12 ' A' ' 11' ' ' ILE . 1.7 mp0 -123.39 133.51 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 24.3 t80 -168.76 139.42 1.99 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 138.76 38.42 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 50.7 mt-10 -100.24 174.97 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.3 p-10 -34.29 115.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -135.88 176.06 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -122.49 172.4 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 p -160.15 140.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ALA . 13.2 mmt180 -79.92 112.43 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -34.15 110.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.18 11.9 24.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -103.81 176.64 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.5 p -112.67 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -112.21 148.89 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -130.52 103.91 6.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 65' ' ' LEU . 24.3 mt -103.14 98.58 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -105.59 129.48 53.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.5 92.36 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HB3' HD11 ' A' ' 11' ' ' ILE . 26.6 tttt -54.18 130.13 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.088 HG11 HG11 ' A' ' 82' ' ' VAL . 35.5 m -125.35 141.58 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.452 HG23 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -129.23 157.74 41.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.55 -114.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -138.14 112.73 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 35.2 mm-40 -75.26 155.15 86.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.583 0.706 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.78 159.51 89.62 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.328 -0.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.1 mt -134.41 120.64 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -68.36 149.07 49.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.601 ' SG ' HG12 ' A' ' 82' ' ' VAL . 74.7 m -147.91 108.71 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.0 m -118.06 130.95 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.406 ' NE1' HD13 ' A' ' 80' ' ' LEU . 39.7 m95 -101.25 119.42 38.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mtm -126.16 170.92 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -152.77 122.65 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 64.12 40.75 6.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 63.67 32.36 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 128.7 23.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.82 132.65 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.78 149.97 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -107.61 120.96 43.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.25 132.06 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.3 p -173.9 165.91 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -51.16 -17.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -88.29 -38.97 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.1 mtp -137.07 105.1 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -101.5 165.5 11.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.77 125.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -105.28 77.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -68.18 122.49 18.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -152.42 160.55 43.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -40.97 -59.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.04 -40.79 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.541 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.82 -134.02 3.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -143.21 137.84 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -123.06 122.37 38.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 27' ' ' LEU . 8.8 tp -100.99 102.22 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -92.63 120.59 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.604 ' CG2' ' CE1' ' A' ' 74' ' ' HIS . 46.5 mt -104.08 121.97 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.686 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -93.45 151.3 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 41.3 54.51 3.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -36.78 110.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.955 ' O ' HG21 ' A' ' 97' ' ' VAL . 37.6 mtp85 -94.32 167.98 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.43 -39.4 83.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' HIS . 1.1 pp20? -60.35 -45.57 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 27.0 m170 -36.28 -39.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.9 t -42.0 121.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.55 172.8 25.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 52.2 t -91.52 140.0 30.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.5 m-85 -110.4 178.92 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 91' ' ' ALA . 96.6 m -158.01 120.04 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD13 ' NE1' ' A' ' 41' ' ' TRP . 14.7 tp -100.35 100.65 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 90' ' ' GLN . 14.5 tp -87.56 123.22 32.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.088 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -120.79 107.57 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' LYS . 8.7 t30 -163.92 153.63 14.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' ASN . 54.9 tttt -36.78 -34.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.7 mt -72.72 -72.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.13 -142.01 3.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.1 p -158.79 167.3 29.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -159.23 167.86 27.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' HB3' HD12 ' A' ' 81' ' ' LEU . 14.7 pt20 -161.27 136.21 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' THR . . . -109.52 -175.07 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -154.53 125.09 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.21 129.32 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -88.4 145.53 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -131.43 154.0 49.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.9 m -145.05 136.47 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.955 HG21 ' O ' ' A' ' 71' ' ' ARG . 47.9 t -104.31 137.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.4 122.55 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.726 0.219 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.55 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.4 pt20 -142.0 150.23 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.624 HD13 ' HB2' ' A' ' 91' ' ' ALA . 19.5 mt -104.0 95.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -78.21 -25.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.27 126.1 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 t80 -161.64 139.61 6.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 132.67 23.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.72 -177.95 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 1.6 p-10 -43.81 111.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 2.8 pt20 -133.48 176.17 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -124.22 169.98 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.9 p -161.48 136.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -71.46 135.93 47.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.66 111.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.0 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.54 -175.06 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.3 p -124.49 124.4 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.3 p -107.73 149.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -132.03 102.09 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.6 mt -102.93 105.62 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 19.3 t80 -113.83 133.31 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' HA3' ' CD2' ' A' ' 80' ' ' LEU . . . -115.09 88.51 0.47 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB3' HD11 ' A' ' 11' ' ' ILE . 44.5 tttt -50.02 139.19 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.929 HG11 HG11 ' A' ' 82' ' ' VAL . 27.7 m -132.03 144.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.55 HG23 ' CG ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -110.36 -76.76 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.85 -128.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.634 ' N ' HD11 ' A' ' 37' ' ' ILE . 94.3 m -141.82 112.05 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 0.0 111.147 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.25 153.87 94.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.74 149.57 88.73 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.352 0.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.634 HD11 ' N ' ' A' ' 34' ' ' THR . 29.9 mt -132.52 129.3 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -76.04 141.93 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 1.7 m -136.74 128.66 29.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -132.66 144.02 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.452 ' HE1' ' HG ' ' A' ' 63' ' ' SER . 49.5 m95 -113.24 123.38 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -132.21 167.25 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -149.62 120.92 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 60.44 45.97 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 61.08 36.55 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -147.22 107.28 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -50.91 131.25 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 41' ' ' TRP . 81.9 mt -72.42 149.11 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -105.41 125.67 51.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.51 131.37 50.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -175.05 167.23 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.44 -22.53 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -82.73 -39.85 21.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 57.1 mtp -137.96 105.36 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -98.99 165.29 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.4 t -141.11 135.67 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -125.04 80.88 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.79 142.56 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.25 -178.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.04 -50.2 28.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -51.8 -39.58 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 153.76 -128.62 2.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 9.1 t -143.17 125.53 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.65 148.39 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.8 tp -127.56 98.64 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.8 m -91.92 112.16 23.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.692 ' HB ' HG12 ' A' ' 25' ' ' VAL . 96.2 mt -97.26 121.9 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -93.02 153.45 18.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 41.53 53.73 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.0 93.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ALA . 35.4 mtp85 -79.06 157.17 28.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.65 -15.88 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -83.5 -38.0 22.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -45.45 -27.76 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.59 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.44 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.2 t -54.88 118.03 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.18 41.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.53 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.86 127.74 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 6.2 m-85 -103.26 167.55 9.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 91' ' ' ALA . 41.5 m -149.5 116.29 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 12.2 tp -93.03 109.82 21.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 89' ' ' ARG . 23.0 tp -100.56 121.56 41.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.929 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -120.89 110.45 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.12 158.58 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.3 p-10 -163.21 -176.46 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -57.71 -37.08 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.93 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.99 -145.38 4.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 p -151.56 174.0 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' O ' HD12 ' A' ' 81' ' ' LEU . 11.5 tpp180 -161.79 155.92 22.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -141.84 133.74 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -109.23 -178.15 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -155.6 131.25 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.03 136.67 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -101.46 135.78 42.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 13.4 tp -126.25 152.63 45.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.8 m -139.62 126.09 20.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 71' ' ' ARG . 26.8 t -95.45 134.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.52 116.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.4 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.133 0 CA-C-O 120.803 0.251 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' CG ' HG23 ' A' ' 32' ' ' THR . 5.4 pt20 -143.83 144.37 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -98.84 97.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.57 -23.8 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -123.41 124.71 43.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.4 t80 -160.34 139.9 8.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 131.27 20.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -86.04 -176.41 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -48.05 115.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -133.68 176.33 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -125.64 164.77 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 p -153.34 144.11 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 21' ' ' ALA . 2.2 mmt85 -84.64 114.67 22.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -37.12 111.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.04 2.63 31.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.71 -178.24 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.0 p -119.98 117.12 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -105.47 155.27 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -134.06 91.38 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.584 HD12 HD23 ' A' ' 65' ' ' LEU . 39.5 mt -91.39 113.06 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -120.91 135.92 55.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.69 95.36 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' HD11 ' A' ' 11' ' ' ILE . 25.8 tttp -56.19 134.41 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.971 HG11 HG11 ' A' ' 82' ' ' VAL . 34.8 m -125.22 142.59 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.5 t -132.72 153.74 50.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.4 -104.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.0 m -148.92 113.25 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 111.16 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.516 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.6 mm-40 -73.35 155.63 89.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.1 Cg_endo -69.84 161.1 87.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.318 0.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.7 mt -135.47 134.94 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.518 ' O ' HG12 ' A' ' 82' ' ' VAL . 7.3 m -86.46 156.05 20.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 3.7 m -153.64 109.87 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.9 m -119.64 128.28 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.578 ' HB3' HD12 ' A' ' 48' ' ' ILE . 71.7 m95 -96.26 118.27 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.1 mtm -131.94 162.64 30.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -145.1 136.95 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 51.21 43.06 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 63.64 26.69 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 111.42 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.74 137.08 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' A' ' 41' ' ' TRP . 82.7 mt -82.34 145.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.06 123.08 48.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -47.12 142.3 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.01 179.1 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -70.9 -2.77 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -114.3 -31.46 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' HG23 ' A' ' 48' ' ' ILE . 24.8 mtp -129.7 105.81 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.657 ' O ' HD12 ' A' ' 65' ' ' LEU . 31.9 mmtt -95.07 -179.07 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 55' ' ' LYS . 69.1 t -161.83 122.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -113.48 92.84 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -85.97 124.44 32.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 m -154.8 164.99 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -44.08 -63.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.17 -39.82 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.529 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 162.82 -152.23 22.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.2 t -131.97 136.91 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.407 . . . . 0.0 110.866 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 65' ' ' LEU . 34.4 ttmt -113.64 157.15 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 55' ' ' LYS . 21.1 tp -132.99 97.7 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -91.03 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.511 ' HB ' HG12 ' A' ' 25' ' ' VAL . 38.8 mt -98.74 118.77 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 68' ' ' LEU . 2.7 mm? -90.91 147.78 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.42 52.12 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.89 136.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.625 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.8 mtp85 -114.38 162.06 17.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -60.67 -21.52 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.29 -23.97 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -65.8 -13.64 59.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.14 118.75 12.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.12 -155.29 24.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.43 124.22 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -96.7 177.89 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.0 m -162.05 125.63 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -101.05 106.69 18.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.3 tp -94.55 116.65 29.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.971 HG11 HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -115.56 105.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' THR . 15.7 mt-10 -111.21 142.85 42.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.461 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 29.5 p-10 -149.84 -175.01 4.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.99 -32.03 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.76 -74.87 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.74 -139.6 3.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p -156.98 154.23 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.2 tpt180 -143.85 158.24 43.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -146.55 138.02 24.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 79' ' ' THR . . . -115.89 -176.98 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -156.48 125.75 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.72 124.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -83.79 135.99 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -127.74 153.71 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.5 m -140.72 127.44 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.625 HG21 ' O ' ' A' ' 71' ' ' ARG . 47.3 t -99.58 130.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.81 129.63 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.757 0.232 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.548 ' CG ' HG23 ' A' ' 32' ' ' THR . 19.7 pt20 -144.32 150.79 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mt -106.27 98.98 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.683 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.91 -26.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -121.22 121.39 37.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.5 t80 -157.76 139.61 10.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 132.33 23.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -88.79 176.66 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.37 119.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -139.33 173.11 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -121.32 166.6 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 p -158.08 141.05 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -75.67 135.55 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.0 111.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.25 -17.26 19.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.63 -174.99 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -128.99 132.39 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.509 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -117.09 152.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -127.28 88.94 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -87.87 100.92 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -111.0 131.09 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.08 100.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -60.61 126.24 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.108 HG11 HG11 ' A' ' 82' ' ' VAL . 34.3 m -117.68 140.95 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.548 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.3 t -127.15 151.44 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.38 -116.88 0.75 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.4 m -134.65 104.36 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.23 154.32 95.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.82 160.57 87.97 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.323 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.0 mt -137.63 123.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 82' ' ' VAL . 8.5 m -65.21 148.06 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.3 m -146.73 109.7 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 83.6 m -123.75 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.644 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.6 m95 -108.14 121.79 45.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.8 mtm -128.25 165.38 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -144.2 116.28 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 63.52 40.01 8.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 67.9 43.4 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 15.1 pttt -144.75 125.64 14.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -68.66 113.87 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 41' ' ' TRP . 92.5 mt -58.49 142.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -100.86 124.46 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.36 127.17 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.8 p -164.28 175.73 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.44 -6.2 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -101.28 -36.58 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.2 mtp -135.77 105.18 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -103.12 165.75 10.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -140.95 127.9 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -110.81 82.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.4 118.68 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 m -136.74 177.05 8.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.13 -60.75 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -45.71 -37.44 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.65 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 171.63 -138.22 4.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -143.57 145.56 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -120.69 139.43 53.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -119.47 95.23 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -83.77 122.74 29.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.509 ' HB ' HG12 ' A' ' 25' ' ' VAL . 51.4 mt -106.35 102.73 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.674 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.5 mm? -82.55 144.23 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 50.02 51.85 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.6 106.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.929 ' O ' HG21 ' A' ' 97' ' ' VAL . 33.6 mtp180 -87.07 177.34 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -72.63 -32.16 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' CYS . 0.9 OUTLIER -66.77 -44.22 81.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -40.26 -31.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' GLU . 13.4 t -50.69 111.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.08 -168.63 41.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.515 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.64 122.34 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -92.34 175.88 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -156.76 121.7 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 tp -99.1 105.55 17.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 89' ' ' ARG . 26.6 tp -94.08 120.63 34.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.108 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.0 106.64 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.55 148.05 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.6 t30 -154.01 155.42 35.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -35.63 -38.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.08 -74.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.21 -134.56 2.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 p -166.66 159.41 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.9 tpt180 -144.37 160.65 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -144.97 141.9 29.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 92' ' ' GLN . . . -119.45 -179.12 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 91' ' ' ALA . 67.8 mt-30 -159.01 121.81 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.49 123.25 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -81.03 140.39 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 tp -130.7 157.59 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.6 m -145.64 134.22 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.929 HG21 ' O ' ' A' ' 71' ' ' ARG . 39.8 t -103.04 135.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.99 113.35 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.0 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.725 0.219 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -143.86 147.71 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 91' ' ' ALA . 18.1 mt -101.41 98.03 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.652 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.8 -25.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.96 132.01 54.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 t80 -162.5 140.63 6.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.7 128.74 16.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.236 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -81.43 169.39 17.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 4.1 p-10 -40.0 109.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -124.74 165.67 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.15 167.23 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.9 p -157.78 136.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.0 mmt85 -77.69 114.11 16.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.68 113.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.13 38.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -98.89 174.97 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.0 p -107.3 120.34 41.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -118.5 170.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.486 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.7 pp20? -158.74 129.48 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.31 109.69 15.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -111.33 128.85 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.51 96.37 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HB3' HD11 ' A' ' 11' ' ' ILE . 31.5 tttp -54.87 127.34 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.042 HG11 HG11 ' A' ' 82' ' ' VAL . 34.7 m -120.1 141.2 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 5.1 t -128.52 155.24 45.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.59 -106.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -147.57 106.79 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.516 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -67.02 155.08 91.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.91 87.16 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.355 -0.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.1 mt -135.75 120.6 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 39' ' ' CYS . 94.0 m -70.94 153.08 42.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 38' ' ' THR . 7.1 m -152.54 106.21 3.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 m -120.63 135.03 55.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.656 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.3 m95 -101.45 126.48 48.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mtm -129.74 140.76 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 31.0 tptt -110.35 131.54 54.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 47.5 46.91 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 63.16 27.89 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -132.08 111.83 11.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -45.64 121.93 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 41' ' ' TRP . 98.9 mt -69.0 147.13 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.82 116.83 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -49.84 137.04 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -175.21 165.03 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.537 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.9 tp10 -52.47 -24.72 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -82.8 -39.31 21.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 39.8 mtp -133.35 103.61 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -102.6 166.57 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -140.55 130.87 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -115.94 83.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -67.43 138.03 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -161.43 168.09 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 10.5 tt0 -52.64 -59.43 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -45.53 -38.44 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 165.18 -132.56 2.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -146.75 143.15 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -122.43 125.69 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.49 100.14 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 m -87.3 133.52 33.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.766 ' HB ' HG12 ' A' ' 25' ' ' VAL . 84.5 mt -116.12 115.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.766 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -94.07 149.8 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.14 41.77 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.3 127.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 97' ' ' VAL . 31.7 mtp85 -102.19 169.83 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -65.58 -9.69 28.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -90.1 -27.59 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -56.33 -30.04 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.606 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.401 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.9 t -57.33 125.4 22.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 -139.56 5.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.447 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 36.7 m -134.29 112.45 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 78.0 m-85 -84.15 173.33 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -148.77 112.74 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 41' ' ' TRP . 20.4 tp -95.81 114.73 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 89' ' ' ARG . 18.5 tp -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.042 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -134.83 99.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 81' ' ' LEU . 43.5 mt-10 -101.34 147.0 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.8 t30 -152.63 153.07 32.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 29.6 ttpt -34.69 -36.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' ASN . 85.0 mt -70.07 -73.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.21 -133.01 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 p -166.37 168.08 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.483 ' HB3' HG23 ' A' ' 82' ' ' VAL . 7.7 tpt85 -157.46 160.86 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 14.2 pt20 -148.41 122.71 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -106.83 174.76 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.458 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.8 mp0 -149.52 144.45 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.9 p -147.95 131.93 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.36 136.57 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.9 tp -128.74 135.99 49.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -118.21 129.17 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 71' ' ' ARG . 53.3 t -101.25 136.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.6 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.7 0.209 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' HG3' HG23 ' A' ' 32' ' ' THR . 4.7 pt20 -149.61 137.57 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 91' ' ' ALA . 16.4 mt -92.65 98.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.637 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.6 -24.37 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -121.44 123.32 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 5.9 t80 -157.68 140.07 10.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.83 129.89 18.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 16' ' ' ASP . 80.7 mt-10 -84.8 167.01 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.4 p-10 -34.77 110.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -124.12 -179.83 4.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.6 162.85 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.85 139.72 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.1 mmt85 -76.87 110.73 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -34.7 106.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.01 11.1 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -101.44 -179.37 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.9 p -109.7 121.89 46.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -122.23 175.4 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.601 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.4 pp20? -165.45 128.37 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.402 HD12 HD23 ' A' ' 65' ' ' LEU . 20.3 mt -119.71 111.05 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.41 124.3 50.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.14 99.56 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -57.59 122.06 11.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.046 HG11 HG11 ' A' ' 82' ' ' VAL . 34.9 m -112.5 140.21 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 9' ' ' GLN . 1.8 t -127.97 148.7 50.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.53 -114.66 0.62 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.661 ' OG1' HD11 ' A' ' 86' ' ' LEU . 45.5 m -136.63 110.88 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 111.185 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.22 155.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.2 Cg_endo -69.77 160.96 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.335 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.1 mt -134.68 123.14 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 4.0 m -73.85 151.8 40.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -149.73 115.94 5.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.11 145.64 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.552 ' HB3' HD12 ' A' ' 48' ' ' ILE . 66.2 m95 -112.3 131.62 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.423 ' CB ' ' HA ' ' A' ' 47' ' ' GLN . 4.9 mtm -136.72 136.3 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -106.29 148.92 27.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 37.58 49.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 56.79 39.03 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . 46.2 tttm -150.23 111.93 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 42' ' ' MET . 15.0 tt0 -37.45 139.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 41' ' ' TRP . 90.2 mt -84.28 154.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' HG22 ' A' ' 48' ' ' ILE . 8.5 pt20 -107.74 131.69 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.59 131.25 42.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -165.19 -175.39 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.62 3.54 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.656 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 19.2 m-70 -115.15 -29.58 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.1 mtp -138.7 109.16 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' HD12 ' A' ' 65' ' ' LEU . 12.2 mttp -104.76 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -147.16 128.94 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.05 91.89 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -157.13 172.45 18.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 35.0 tt0 -53.4 -60.09 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -46.02 -37.3 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.61 -132.86 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.448 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -150.46 135.58 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -111.26 137.9 48.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 55' ' ' LYS . 13.1 tp -116.34 96.36 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.2 m -86.01 135.12 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.807 ' HB ' HG12 ' A' ' 25' ' ' VAL . 81.4 mt -119.08 121.07 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.603 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.8 mm? -96.58 150.1 21.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.656 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 33.95 40.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -33.71 138.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.549 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -103.88 176.18 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -67.62 -26.25 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.4 pp20? -70.67 -43.74 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.476 ' ND1' ' HA ' ' A' ' 70' ' ' ALA . 23.2 m170 -37.7 -38.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.6 t -43.8 117.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.02 -146.64 9.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.4 p -128.35 113.07 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.57 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 55.7 m-85 -85.7 143.3 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.6 m -126.89 114.89 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -93.04 106.19 18.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 89' ' ' ARG . 27.3 tp -90.8 125.97 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.046 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -123.42 103.32 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' THR . 39.1 mt-10 -110.17 143.69 39.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.61 HD21 HD12 ' A' ' 86' ' ' LEU . 24.2 p-10 -149.11 -175.23 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -60.45 -24.53 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD11 ' OG1' ' A' ' 34' ' ' THR . 70.6 mt -79.71 -73.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.51 -131.49 2.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.9 p -163.55 150.53 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.518 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.0 tpt180 -140.84 155.93 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -141.38 135.11 30.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -112.05 178.72 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -154.95 118.43 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 13' ' ' PHE . 1.2 p -127.48 129.77 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -84.79 140.17 31.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -134.25 133.1 40.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.4 m -121.43 135.03 55.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.667 HG12 ' HB2' ' A' ' 21' ' ' ALA . 55.7 t -106.27 132.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.46 132.92 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.751 0.229 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mt -101.91 100.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.78 -23.46 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.46 123.38 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.7 t80 -161.32 139.62 7.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 125.34 12.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ASP . 4.6 mm-40 -86.01 172.1 10.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -36.6 113.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -131.29 178.58 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -123.22 168.03 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.12 145.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -81.14 121.77 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -43.68 106.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.78 3.59 25.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.62 174.79 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 m -111.61 113.23 25.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.747 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -108.51 176.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.653 ' H ' HG22 ' A' ' 25' ' ' VAL . 3.5 pt-20 -169.09 105.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' CZ2' ' A' ' 41' ' ' TRP . 15.1 mt -97.06 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -117.34 135.26 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.03 101.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -62.56 130.32 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.973 HG11 HG11 ' A' ' 82' ' ' VAL . 27.8 m -121.03 140.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -105.09 -76.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.67 -130.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.732 ' N ' HD11 ' A' ' 37' ' ' ILE . 23.9 m -132.26 99.5 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.554 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 15.8 mm-40 -67.17 150.97 97.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.3 Cg_endo -69.76 145.83 80.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.375 -0.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.732 HD11 ' N ' ' A' ' 34' ' ' THR . 26.2 mt -126.36 148.24 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 39' ' ' CYS . 31.2 m -83.11 154.12 24.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 38' ' ' THR . 18.0 m -149.17 129.64 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.6 m -137.09 142.6 42.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.504 ' CZ2' ' O ' ' A' ' 27' ' ' LEU . 61.7 m95 -109.53 125.93 53.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtm -137.75 152.25 49.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HZ2' ' N ' ' A' ' 77' ' ' CYS . 25.4 tttp -131.76 134.2 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 53.64 41.92 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 60.53 43.03 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -155.37 105.52 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -38.96 134.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 49' ' ' GLN . 81.1 mt -73.41 156.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.468 ' N ' HG22 ' A' ' 48' ' ' ILE . 84.1 mt-30 -108.79 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.44 128.13 35.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -165.77 -175.71 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -70.95 -8.61 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.36 -34.77 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.567 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.05 105.13 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.7 mttm -100.97 171.85 7.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.93 128.3 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -110.99 81.37 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.55 129.74 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.8 m -154.99 172.51 17.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tp10 -56.71 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.3 m-20 -38.12 -41.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.78 -136.69 4.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -145.33 143.27 30.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -120.23 148.85 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 55' ' ' LYS . 15.7 tp -127.88 100.59 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 25' ' ' VAL . 30.7 m -91.12 127.99 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.747 ' HB ' HG12 ' A' ' 25' ' ' VAL . 91.4 mt -110.21 118.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.672 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.6 mm? -89.74 149.42 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 37.66 40.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.91 101.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -73.65 -174.96 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.89 -29.4 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' HIS . 14.1 pt-20 -69.84 -41.6 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' GLU . 19.6 m80 -36.84 -41.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -42.1 126.82 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.76 -140.06 5.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.579 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 19.5 p -137.83 122.51 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -95.0 173.23 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 91' ' ' ALA . 54.5 m -158.27 112.74 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 tp -91.87 116.35 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 tp -102.5 119.88 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.973 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -118.67 102.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 46.1 mt-10 -104.34 162.97 12.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.7 p-10 -165.74 -175.06 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 84.6 mt -76.89 -75.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.13 -135.98 2.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.406 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 16.6 p -163.4 154.11 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.439 ' HB3' HG23 ' A' ' 82' ' ' VAL . 6.9 tpt85 -136.72 154.88 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -140.56 136.0 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 79' ' ' THR . . . -114.32 179.37 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -156.38 122.03 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -134.05 128.24 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -88.7 140.39 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -126.83 139.53 53.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.3 m -124.96 121.45 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 71' ' ' ARG . 19.3 t -93.05 132.26 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.75 119.22 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.116 0 CA-C-O 120.736 0.223 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.533 ' CG ' HG23 ' A' ' 32' ' ' THR . 14.0 pt20 -143.47 151.34 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt -105.14 96.94 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.67 -27.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -120.43 128.62 53.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 13.6 t80 -167.79 139.34 2.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.584 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.77 147.47 62.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ASP . 18.5 mt-10 -107.82 175.49 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -34.51 111.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.5 pt20 -133.7 175.45 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -125.78 163.66 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p -155.16 137.17 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HD3' HG23 ' A' ' 98' ' ' VAL . 25.1 mmt85 -71.67 132.88 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.18 111.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.0 14.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.9 -175.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.7 p -125.51 130.14 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.9 p -113.45 149.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -128.72 94.95 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -93.41 108.62 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -115.65 133.96 55.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.02 94.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -55.68 137.87 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.056 HG11 HG11 ' A' ' 82' ' ' VAL . 28.0 m -127.37 144.8 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.533 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.8 t -135.29 150.46 50.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.16 -98.4 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.0 m -153.34 107.21 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 41.2 mm-40 -69.69 154.9 94.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.77 160.74 87.54 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 -1.791 . . . . 0.0 112.346 0.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.7 mt -137.62 118.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.2 m -72.1 151.5 43.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 82' ' ' VAL . 7.5 m -151.46 122.99 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -131.46 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.528 ' HB3' HD12 ' A' ' 48' ' ' ILE . 52.4 m95 -100.88 124.22 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -129.3 163.09 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -140.68 117.73 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 64.45 43.4 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 63.95 36.48 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -139.85 128.79 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.41 125.07 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 41' ' ' TRP . 73.8 mt -70.87 151.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -108.76 124.05 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.61 131.06 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.5 t -175.2 166.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 68' ' ' LEU . 36.8 tt0 -50.94 -24.25 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -80.39 -40.76 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 mtp -137.66 105.56 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -100.73 170.29 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -147.46 133.24 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -113.92 83.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.2 125.56 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m -155.2 163.16 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 24.4 tt0 -45.96 -60.04 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -40.72 -41.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.95 -141.43 7.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -136.89 140.2 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -120.54 151.87 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.2 tp -128.59 98.83 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -89.91 116.97 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.691 ' HB ' HG12 ' A' ' 25' ' ' VAL . 90.9 mt -101.68 121.86 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.69 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -94.71 154.36 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.19 53.77 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.7 101.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.578 ' O ' HG21 ' A' ' 97' ' ' VAL . 28.6 mtp85 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -65.79 -19.11 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -82.42 -28.99 31.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -56.78 -32.41 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.597 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.2 t -46.87 136.68 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.52 -177.32 23.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.5 t -97.63 142.7 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.355 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.89 177.66 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.2 m -152.4 108.67 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -90.95 113.49 25.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -98.88 138.8 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.056 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.7 105.06 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -110.66 149.78 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 7.9 p-10 -154.64 179.01 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -54.44 -36.95 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 38.0 mt -68.52 -75.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 -132.39 2.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.434 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.2 p -163.67 158.39 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB3' HG23 ' A' ' 82' ' ' VAL . 3.4 tpm_? -148.51 163.58 36.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -154.45 125.91 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -110.04 179.65 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.473 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -150.73 150.96 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.04 123.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.96 142.01 38.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.8 tp -136.78 148.11 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -136.43 147.41 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 71' ' ' ARG . 50.0 t -114.9 131.11 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.468 HG23 ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.9 118.12 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.9 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.74 0.225 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' HG3' HG23 ' A' ' 32' ' ' THR . 4.0 pt20 -153.43 141.12 19.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.8 mt -98.64 99.28 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.607 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.37 -23.63 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -123.79 123.99 41.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -159.05 139.86 9.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 125.83 12.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.29 173.82 10.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -39.24 119.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -141.1 170.58 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.39 173.92 6.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 p -162.97 132.22 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.1 122.94 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -45.07 112.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.79 -4.56 30.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.14 -176.08 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 m -122.11 112.29 18.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.753 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -109.12 167.72 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 1.4 pm0 -159.45 120.63 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -109.85 116.97 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -122.1 123.68 42.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.58 102.66 1.73 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HB3' HD11 ' A' ' 11' ' ' ILE . 27.2 tttp -61.84 133.32 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 82' ' ' VAL . 27.5 m -123.69 143.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -111.64 -76.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.58 -112.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.794 ' H ' HD11 ' A' ' 37' ' ' ILE . 53.9 m -157.81 109.77 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.659 0.266 . . . . 0.0 111.192 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.54 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.5 mm-40 -68.19 153.42 95.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.76 153.82 93.08 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.339 -0.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.794 HD11 ' H ' ' A' ' 34' ' ' THR . 48.6 mt -138.15 128.35 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 m -76.49 146.83 38.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 82' ' ' VAL . 40.3 m -141.56 123.73 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.5 m -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -112.99 124.86 53.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -131.01 165.89 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -146.94 115.87 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 63.89 46.43 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? 61.47 41.52 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -153.3 112.09 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.75 129.77 30.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.4 mt -73.36 150.6 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -107.02 128.47 54.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.45 133.67 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -175.21 172.62 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 68' ' ' LEU . 27.6 tt0 -56.39 -27.8 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -40.95 35.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 62.7 mtp -135.62 104.25 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -97.94 161.58 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.4 t -140.02 129.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -118.3 85.83 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -72.01 134.56 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -158.68 167.61 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.4 tp10 -47.92 -63.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -39.23 -41.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.85 -145.78 10.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 11.1 t -127.8 142.64 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -122.69 147.52 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.6 tp -133.46 104.41 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 25' ' ' VAL . 9.7 m -93.95 138.0 32.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.753 ' HB ' HG12 ' A' ' 25' ' ' VAL . 80.8 mt -117.6 116.69 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.696 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -92.02 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.5 46.43 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.19 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.728 ' O ' HG21 ' A' ' 97' ' ' VAL . 41.5 mtp85 -85.77 168.02 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -62.8 -27.3 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' HIS . 23.7 pt-20 -73.48 -40.82 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' GLU . 10.3 m80 -39.36 -41.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.496 ' HB2' HG23 ' A' ' 97' ' ' VAL . 25.3 t -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.18 -137.14 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.2 p -138.09 131.93 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -109.23 163.73 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -146.7 123.83 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 tp -101.27 105.3 16.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -94.2 120.08 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 31' ' ' VAL . 3.1 m -117.83 115.17 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -117.27 146.23 43.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 25.1 p-10 -149.15 -176.66 5.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.96 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.5 -75.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.8 -130.77 2.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.4 p -163.25 168.65 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 16.7 tpt180 -156.24 158.82 38.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.36 129.56 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.3 -178.95 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -155.27 131.5 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -142.19 131.54 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -94.45 141.75 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -133.3 150.48 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -137.01 135.19 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.728 HG21 ' O ' ' A' ' 71' ' ' ARG . 33.0 t -101.67 136.08 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.0 126.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.87 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.136 0 CA-C-O 120.747 0.228 . . . . 0.0 112.328 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.0 pt20 -148.12 146.57 28.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 91' ' ' ALA . 18.2 mt -98.16 95.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.31 -26.31 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -125.04 130.38 52.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.0 t80 -165.31 139.56 3.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 137.4 35.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.46 -176.9 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -43.89 113.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 13.7 pt20 -133.08 172.26 12.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -117.91 169.35 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -159.86 131.76 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 12.4 mmt85 -73.89 117.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -37.72 113.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.09 12.84 30.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -100.54 -178.24 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.2 p -115.8 119.76 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.774 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -115.69 150.3 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -134.68 106.32 6.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 HD23 ' A' ' 65' ' ' LEU . 37.9 mt -101.36 96.25 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.07 131.11 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.31 96.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -56.2 134.75 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.081 HG11 HG11 ' A' ' 82' ' ' VAL . 36.0 m -126.83 145.62 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -137.49 145.67 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.4 -99.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 72.4 m -156.72 105.45 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 111.168 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.545 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 30.9 mm-40 -65.96 154.34 89.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.718 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.74 160.9 87.17 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.331 -0.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.8 mt -138.78 126.28 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 m -79.72 146.38 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.662 ' SG ' HG12 ' A' ' 82' ' ' VAL . 58.1 m -141.07 128.77 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 m -129.31 134.43 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -107.42 109.29 20.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -117.94 172.34 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' NZ ' ' CZ ' ' A' ' 78' ' ' TYR . 18.2 tttp -154.51 121.1 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 60.24 45.24 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 60.71 42.68 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -156.16 110.72 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -47.84 130.79 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.3 mt -75.05 141.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -97.09 126.12 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -60.71 136.92 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -175.4 162.33 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.653 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.1 pt-20 -48.83 -28.25 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.66 -39.41 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtp -132.57 97.55 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 31.5 mtmt -93.04 -179.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -151.85 130.53 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.03 85.28 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -84.01 145.94 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -173.09 -176.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -50.96 -48.35 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -53.36 -38.28 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 153.99 -127.55 2.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -142.17 136.56 30.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.428 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -120.83 153.63 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 55' ' ' LYS . 15.4 tp -131.28 97.92 4.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -87.09 119.09 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.774 ' HB ' HG12 ' A' ' 25' ' ' VAL . 99.2 mt -102.67 113.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 52' ' ' GLU . 2.5 mm? -87.99 150.55 23.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 40.51 51.8 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.29 110.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.769 ' O ' HG21 ' A' ' 97' ' ' VAL . 8.2 mmm180 -88.24 156.36 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -58.08 -25.57 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.1 pt-20 -80.06 -40.72 27.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 18.7 m80 -40.67 -35.98 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.566 ' HB2' HG23 ' A' ' 97' ' ' VAL . 2.4 t -42.54 124.97 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.62 -173.44 42.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.3 t -103.27 129.25 50.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CZ ' ' NZ ' ' A' ' 43' ' ' LYS . 9.6 m-85 -103.5 167.85 9.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 91' ' ' ALA . 51.7 m -150.03 128.7 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -106.45 107.86 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 89' ' ' ARG . 19.9 tp -99.26 117.68 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.081 HG11 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -115.95 109.79 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -107.51 148.73 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 25.0 t30 -155.47 154.12 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.496 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -32.59 -44.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 86' ' ' LEU . 7.2 mp -67.02 -75.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.94 -158.64 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.2 p -143.97 166.9 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 81' ' ' LEU . 10.8 tpt180 -150.56 156.73 41.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.55 131.45 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' THR . . . -110.42 -176.14 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -157.69 137.0 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.21 137.59 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -101.19 144.79 29.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.3 tp -135.26 152.5 51.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -138.43 135.62 35.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 71' ' ' ARG . 24.9 t -103.03 133.28 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.33 131.92 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.6 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.119 0 CA-C-O 120.78 0.242 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.484 ' HG2' HG23 ' A' ' 32' ' ' THR . 13.1 pt20 -147.83 151.96 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.3 98.21 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.68 -22.62 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.17 126.44 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.0 t80 -164.91 139.24 4.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 123.31 9.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ASP . 34.8 mp0 -83.46 173.89 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.85 116.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.818 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.46 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -122.93 169.01 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.6 p -161.78 136.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -72.42 138.52 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.96 110.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.09 -20.1 17.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.16 -175.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -127.0 131.61 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.914 HG12 ' HB ' ' A' ' 67' ' ' ILE . 4.7 p -117.01 154.32 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -134.62 100.65 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 HD23 ' A' ' 65' ' ' LEU . 41.8 mt -100.33 108.98 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -118.0 126.87 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.77 98.23 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HB3' HD11 ' A' ' 11' ' ' ILE . 27.5 tttt -62.97 136.77 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 82' ' ' VAL . 35.9 m -127.37 143.17 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -106.09 -76.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.2 -136.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.6 m -124.94 99.1 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -62.95 151.76 85.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.74 153.85 93.03 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.335 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 mt -131.88 131.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 39' ' ' CYS . 47.0 m -74.39 154.03 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.711 ' SG ' HG12 ' A' ' 82' ' ' VAL . 85.9 m -145.73 134.94 22.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 m -141.51 140.55 33.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.656 ' HB3' HD12 ' A' ' 48' ' ' ILE . 78.9 m95 -109.0 129.46 55.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 mtm -137.68 156.38 48.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -136.83 126.31 25.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 55.78 50.63 13.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 55.75 41.55 30.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -152.16 105.01 3.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -43.8 136.13 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 41' ' ' TRP . 92.7 mt -77.12 151.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -112.14 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.29 137.01 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.4 p -173.44 173.55 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.49 -4.7 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 71' ' ' ARG . 7.6 m-70 -105.23 -35.33 7.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 mtp -135.49 110.47 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 65' ' ' LEU . 28.9 mmtt -94.94 -176.63 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 55' ' ' LYS . 70.8 t -161.54 122.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -110.64 78.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.47 125.52 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -155.78 -177.76 6.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.6 tt0 -58.1 -69.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' GLU . 26.1 m120 -36.75 -36.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.06 -132.5 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.0 t -152.12 144.57 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.878 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -120.43 154.85 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.561 HD23 HD12 ' A' ' 27' ' ' LEU . 14.7 tp -132.05 94.09 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -85.63 114.53 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.914 ' HB ' HG12 ' A' ' 25' ' ' VAL . 43.4 mt -97.91 120.79 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.66 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.7 mm? -97.39 147.48 24.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.25 53.33 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.16 108.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.725 ' O ' HG21 ' A' ' 97' ' ' VAL . 24.3 mtp180 -92.14 151.26 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HA ' HG11 ' A' ' 97' ' ' VAL . 5.1 tt0 -53.38 -26.58 19.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 pp20? -72.65 -38.41 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 27.6 m170 -45.36 -31.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 39.8 t -50.92 114.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.93 -147.96 9.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.55 126.7 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -102.61 168.16 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 91' ' ' ALA . 34.8 m -150.99 118.86 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -97.06 112.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 89' ' ' ARG . 18.6 tp -97.57 120.63 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -116.38 99.47 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 37.7 mt-10 -98.06 152.91 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.47 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 5.7 p-10 -155.42 -175.05 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -44.41 84.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.81 -72.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -148.29 -135.45 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.465 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 50.9 p -161.8 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.502 ' HB3' HG23 ' A' ' 82' ' ' VAL . 9.8 tpt180 -132.72 160.72 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -143.62 138.13 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 79' ' ' THR . . . -117.92 -178.35 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -155.53 133.01 11.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.85 119.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -80.35 134.61 36.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -123.21 152.03 41.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.3 m -137.37 131.24 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.725 HG21 ' O ' ' A' ' 71' ' ' ARG . 58.7 t -101.15 132.85 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.29 120.98 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 CA-C-O 120.73 0.221 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.7 pt20 -151.05 144.46 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.27 96.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.599 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -79.07 -25.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -126.0 122.17 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.3 t80 -156.97 139.4 10.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 124.38 11.04 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.28 175.52 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.11 126.04 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -145.54 175.01 10.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -123.12 170.53 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p -159.92 150.11 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.6 mmt85 -87.74 116.46 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -36.71 109.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 110.7 1.81 28.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.31 178.62 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.4 p -114.67 117.6 31.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.589 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -110.87 154.15 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -134.93 106.2 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.0 mt -107.94 108.42 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 28.2 t80 -121.07 137.11 54.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.9 90.58 0.5 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HB3' HD11 ' A' ' 11' ' ' ILE . 15.2 tttm -51.59 134.27 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.787 HG11 HG11 ' A' ' 82' ' ' VAL . 29.8 m -126.28 145.11 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -110.69 -76.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.26 -130.24 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.559 ' N ' HD11 ' A' ' 37' ' ' ILE . 98.1 m -140.62 105.46 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.144 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 32.0 mm-40 -65.68 154.03 89.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.8 Cg_endo -69.73 155.81 93.01 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.381 -0.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.559 HD11 ' N ' ' A' ' 34' ' ' THR . 24.9 mt -140.32 130.04 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.9 m -70.87 150.21 46.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -145.81 126.23 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.0 m -135.48 138.29 43.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.751 ' HB3' HD12 ' A' ' 48' ' ' ILE . 58.2 m95 -105.87 120.11 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.4 mtm -134.2 150.46 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -126.6 122.26 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE1' ' SG ' ' A' ' 77' ' ' CYS . 10.5 m-85 57.43 47.14 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 61.98 29.99 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.26 112.15 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -54.27 122.01 9.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' A' ' 41' ' ' TRP . 76.2 mt -66.04 146.9 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -107.35 123.75 48.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.57 134.59 57.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -173.06 168.43 4.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.18 -15.79 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 22.0 m-70 -96.29 -34.39 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.0 mtp -133.08 96.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 65' ' ' LEU . 42.4 mttm -95.86 167.7 11.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.7 t -144.79 127.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.27 84.87 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -83.69 128.99 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.39 -175.82 5.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CD ' ' HG3' ' A' ' 35' ' ' GLN . 4.8 tp10 -53.15 -49.03 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -52.47 -39.09 60.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.475 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 157.22 -127.15 1.87 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -145.83 133.21 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.39 148.27 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 55' ' ' LYS . 17.8 tp -128.9 97.81 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -88.48 115.89 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.589 ' HB ' HG12 ' A' ' 25' ' ' VAL . 67.3 mt -99.16 108.76 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.697 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -85.45 146.64 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 44.82 49.72 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . -35.27 122.37 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 97' ' ' VAL . 46.2 mtp180 -102.61 164.52 11.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -62.63 -17.09 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 2.6 pt-20 -86.06 -31.63 21.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 16.7 m170 -57.12 -20.47 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.62 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.4 t -57.02 134.03 55.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.24 172.0 15.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.562 ' SG ' ' CE1' ' A' ' 44' ' ' PHE . 20.1 p -84.95 141.21 30.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -108.31 177.61 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 89.9 m -155.0 116.81 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -99.88 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -92.87 123.31 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.787 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -123.07 99.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -103.94 152.81 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' LEU . 8.3 p-10 -154.39 -175.13 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -31.77 70.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.452 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 80.0 mt -77.51 -75.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -144.3 -135.63 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 p -163.4 155.18 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.594 ' HB3' HG23 ' A' ' 82' ' ' VAL . 26.4 tpt180 -137.53 156.24 48.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -144.73 130.57 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -114.08 -177.55 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -157.27 130.49 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.44 118.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -77.48 142.26 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -137.0 141.35 42.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.8 m -126.49 132.22 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 75' ' ' CYS . 38.6 t -99.49 132.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.45 123.88 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.6 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.746 0.227 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG3' ' CG2' ' A' ' 32' ' ' THR . 18.5 pt20 -147.68 149.9 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.44 98.05 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.64 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.32 -24.49 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -124.27 129.84 51.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.2 t80 -165.26 139.68 4.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.58 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.76 138.27 37.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -93.11 174.16 7.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.28 115.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -134.3 174.74 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -124.06 163.34 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.07 139.01 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -71.99 133.17 45.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -52.22 111.44 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.69 -20.57 15.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.82 -176.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.7 p -124.75 126.4 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.596 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -111.8 154.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -133.75 100.76 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -99.67 106.44 18.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -114.93 132.17 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.66 102.43 0.95 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HB3' HD11 ' A' ' 11' ' ' ILE . 14.9 tttm -61.23 127.17 30.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.992 HG11 HG11 ' A' ' 82' ' ' VAL . 32.8 m -118.97 142.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.434 ' CG2' ' HG3' ' A' ' 9' ' ' GLN . 7.7 t -131.07 154.9 47.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.71 -99.05 0.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -154.2 111.03 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.686 0.279 . . . . 0.0 111.126 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 33.8 mm-40 -72.77 155.23 90.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.71 161.18 86.59 Favored 'Cis proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.381 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -136.97 125.65 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.441 ' O ' HG12 ' A' ' 82' ' ' VAL . 14.6 m -72.86 151.37 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.438 ' SG ' HG12 ' A' ' 82' ' ' VAL . 55.8 m -149.9 117.36 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -129.34 138.66 51.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.704 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.6 m95 -106.25 118.17 35.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mtm -128.75 137.62 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CE ' ' HA3' ' A' ' 76' ' ' GLY . 21.2 tttt -114.04 122.05 45.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 58.02 47.21 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 61.32 29.91 18.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -128.61 114.96 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -57.5 121.68 10.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.704 HD12 ' HB3' ' A' ' 41' ' ' TRP . 75.2 mt -71.68 143.15 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -106.44 119.81 40.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.86 133.91 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.49 178.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -63.72 -15.81 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -90.86 -37.94 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.98 106.61 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -101.95 167.63 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -144.61 132.19 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -114.2 82.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.65 118.47 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.7 m -136.43 -179.85 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -65.46 -60.49 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -45.92 -38.59 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.548 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 172.08 -142.21 6.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -139.34 139.36 37.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -112.55 153.42 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD22 ' CE3' ' A' ' 41' ' ' TRP . 17.4 tp -132.79 95.74 3.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.0 m -86.23 127.34 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.596 ' HB ' HG12 ' A' ' 25' ' ' VAL . 78.9 mt -110.56 114.7 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.8 mm? -89.23 149.64 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 43.18 53.68 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.63 93.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ALA . 32.7 mtp85 -77.51 152.69 34.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -53.1 -17.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -80.44 -33.49 36.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.454 ' CE1' HG23 ' A' ' 67' ' ' ILE . 16.9 m170 -51.38 -32.51 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.84 125.03 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.454 ' HA3' ' CE ' ' A' ' 43' ' ' LYS . . . 152.24 178.99 27.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.2 p -96.59 135.24 38.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.7 m-85 -102.61 175.46 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.4 m -153.35 119.09 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -97.67 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 tp -97.0 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.992 HG11 HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -122.84 104.04 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.89 153.26 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 11.5 p-10 -162.2 174.19 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -45.57 -49.79 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.11 -76.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.99 -143.33 3.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 p -153.58 169.75 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HB3' HG23 ' A' ' 82' ' ' VAL . 22.3 tpt180 -155.97 159.89 39.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.51 138.16 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.0 -178.56 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -154.25 122.36 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.38 119.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -76.61 146.58 38.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -143.27 151.04 40.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.4 m -142.22 144.39 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 71' ' ' ARG . 63.9 t -110.56 131.1 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.64 118.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.909 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.243 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.41 ' CG ' HG23 ' A' ' 32' ' ' THR . 13.0 pt20 -141.99 151.36 42.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -104.14 96.88 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.14 -25.36 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -168.96 139.88 1.96 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 131.92 22.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.4 -175.66 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -46.27 114.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.57 171.41 14.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -119.48 169.35 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 p -160.41 132.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -70.4 125.5 26.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -45.32 111.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 117.14 -32.69 5.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.12 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.0 p -128.05 129.49 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.76 158.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -134.97 85.63 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 65' ' ' LEU . 40.1 mt -84.44 106.67 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -118.15 129.03 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.48 96.96 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.463 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HB3' HD11 ' A' ' 11' ' ' ILE . 14.6 tttm -56.57 128.01 34.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.041 HG11 HG11 ' A' ' 82' ' ' VAL . 33.0 m -121.09 141.77 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.41 HG23 ' CG ' ' A' ' 9' ' ' GLN . 3.2 t -131.33 156.78 44.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.79 -100.57 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -151.63 105.69 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.712 0.291 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.21 154.66 94.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.8 160.83 87.47 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.382 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.87 129.12 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.9 m -78.21 149.4 33.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.515 ' SG ' HG12 ' A' ' 82' ' ' VAL . 59.9 m -146.63 107.44 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -112.52 139.55 48.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.474 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.7 m95 -108.66 120.85 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 mtm -130.35 171.97 12.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -156.15 123.74 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 64.79 38.78 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 63.1 41.94 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.72 125.86 9.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.64 132.82 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 41' ' ' TRP . 89.5 mt -75.08 144.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -103.15 115.0 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.57 136.06 27.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' MET . 3.5 t -173.79 157.91 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.08 -20.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' SER . 5.6 m170 -87.08 -38.7 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 24.6 mtp -133.17 102.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -101.82 169.83 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.6 t -142.67 138.87 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -120.73 82.48 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.65 131.56 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -157.1 175.39 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.23 -63.82 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -38.97 -42.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.602 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 168.65 -134.4 3.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 25.6 t -141.04 148.23 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -126.91 147.84 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD23 HD12 ' A' ' 27' ' ' LEU . 14.3 tp -128.12 97.47 4.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -86.55 119.41 26.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -103.31 107.07 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.9 mm? -84.51 146.72 27.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.36 53.6 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.47 111.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.711 ' O ' HG21 ' A' ' 97' ' ' VAL . 9.0 mmm180 -91.64 151.68 20.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -55.35 -29.16 57.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 74' ' ' HIS . 10.0 pt-20 -73.77 -42.14 61.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' GLU . 18.6 m80 -38.29 -36.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.8 t -42.14 115.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.6 170.67 33.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -88.8 130.0 35.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -101.69 175.13 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.7 m -152.39 126.11 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -104.97 105.47 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.62 121.15 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.041 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -118.67 109.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -108.47 140.15 42.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.3 t30 -148.84 157.46 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.475 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 17.0 tptt -34.65 -46.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.51 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.0 -131.43 2.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.0 p -164.53 176.95 8.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.6 tpt85 -165.77 159.87 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -149.99 126.27 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 79' ' ' THR . . . -108.04 -175.54 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -156.87 142.74 17.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.54 141.42 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -100.23 128.54 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.0 tp -123.66 156.28 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.4 m -144.5 139.53 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.711 HG21 ' O ' ' A' ' 71' ' ' ARG . 61.5 t -108.42 135.99 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.46 123.17 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.117 0 CA-C-O 120.723 0.218 . . . . 0.0 112.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -145.76 152.87 40.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 91' ' ' ALA . 22.9 mt -106.66 96.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.55 -26.03 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.08 129.12 50.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 10.3 t80 -164.3 139.65 4.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.77 135.06 29.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -91.47 -177.68 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -46.91 114.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -137.75 167.94 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -113.45 169.98 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -163.41 129.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.73 131.83 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -50.35 111.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 114.62 -24.69 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -62.46 -177.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.5 p -123.66 124.91 43.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.943 HG12 ' HB ' ' A' ' 67' ' ' ILE . 4.0 p -113.05 153.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.45 89.9 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -88.08 104.48 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -114.4 124.54 52.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -110.59 93.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HB3' HD11 ' A' ' 11' ' ' ILE . 35.2 tttt -52.1 125.11 14.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.982 HG11 HG11 ' A' ' 82' ' ' VAL . 33.7 m -118.83 141.57 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 5.9 t -130.68 153.17 49.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.13 -110.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -144.91 105.65 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.7 mm-40 -67.98 155.01 92.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.7 160.9 87.08 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.332 -0.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -139.75 136.68 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.0 m -82.52 153.1 25.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' A' ' 82' ' ' VAL . 49.8 m -154.76 105.15 2.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.7 m -117.23 137.92 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.618 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.0 m95 -101.09 126.06 47.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' THR . 16.6 mtm -135.3 156.92 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -131.75 116.12 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 60.11 47.25 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 63.19 33.19 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -134.21 112.8 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.99 125.65 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 41' ' ' TRP . 87.6 mt -72.81 141.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -103.65 113.72 27.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -45.76 137.19 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -170.62 -175.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.99 -16.87 62.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 19.8 m-70 -92.7 -36.55 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.598 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.3 mtp -132.52 107.04 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 65' ' ' LEU . 27.5 mtmt -103.05 176.82 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -147.7 137.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -124.02 85.97 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.72 131.42 46.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -152.62 170.2 20.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.63 -59.39 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -45.02 -37.07 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.6 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 167.54 -137.35 4.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -139.72 136.14 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -112.65 136.36 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 55' ' ' LYS . 10.0 tp -116.96 97.33 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -83.0 126.51 32.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.943 ' HB ' HG12 ' A' ' 25' ' ' VAL . 85.0 mt -110.95 107.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.7 mm? -88.54 146.43 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 49.59 53.27 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -33.68 94.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.504 ' H ' ' CE1' ' A' ' 74' ' ' HIS . 49.4 ttt85 -83.09 152.79 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -45.75 -43.75 13.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.5 pt-20 -54.04 -44.65 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.504 ' CE1' ' H ' ' A' ' 71' ' ' ARG . 78.0 m80 -44.12 -36.45 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.2 t -45.18 123.2 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 148.3 175.79 21.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.0 140.7 29.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.08 -176.45 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 91' ' ' ALA . 57.9 m -158.95 119.01 3.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -98.42 103.31 15.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 tp -89.23 137.08 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.982 HG11 HG11 ' A' ' 31' ' ' VAL . 1.2 m -136.86 105.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -112.19 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 7.7 p-10 -148.98 -179.82 7.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -53.5 -39.06 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.96 -74.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.5 -136.38 2.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 p -158.71 164.11 36.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.489 ' HB3' HG23 ' A' ' 82' ' ' VAL . 32.2 tpt85 -152.83 157.36 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.12 130.58 17.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.613 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -107.17 -176.71 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -155.74 133.63 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.78 125.01 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -86.13 135.26 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -129.81 145.14 51.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -132.73 131.96 41.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 21' ' ' ALA . 44.8 t -100.8 134.27 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.65 117.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.734 0.222 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -145.89 148.48 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 mt -99.12 97.18 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.667 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -79.5 -31.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.479 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 mp0 -122.86 140.16 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.8 t80 -170.34 139.7 1.48 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 130.63 19.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -90.09 179.74 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -43.74 118.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -139.44 178.67 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -124.04 168.67 12.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.85 136.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.55 131.14 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.31 112.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 113.3 -24.36 12.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -66.26 -175.04 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.5 p -127.6 122.88 34.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.73 160.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.95 89.16 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.759 HD12 HD23 ' A' ' 65' ' ' LEU . 39.2 mt -87.98 95.85 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -107.08 129.08 54.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.97 96.49 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' A' ' 11' ' ' ILE . 24.8 tttp -56.08 138.97 48.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.863 HG11 HG11 ' A' ' 82' ' ' VAL . 27.8 m -132.52 151.42 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 4.3 t -141.05 150.39 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.71 -109.84 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -143.51 105.82 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 40.2 mm-40 -68.61 154.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.73 160.84 87.26 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.328 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.12 131.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -81.05 152.93 27.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.518 ' SG ' HG12 ' A' ' 82' ' ' VAL . 9.9 m -154.04 119.75 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -127.02 136.09 51.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -104.5 114.9 29.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -121.21 150.0 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 77' ' ' CYS . 24.2 tttt -129.78 122.32 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 63.75 44.34 5.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 60.87 39.06 17.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -150.92 120.89 7.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -52.12 126.51 18.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.61 144.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -96.01 121.8 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.07 122.6 15.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -161.18 164.5 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.28 -20.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -85.61 -39.38 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.2 mtp -134.62 100.96 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.6 168.62 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.0 t -145.1 128.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -120.32 85.58 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -81.41 141.2 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.83 -175.94 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 45.3 tt0 -53.04 -45.62 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.48 -38.55 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 154.15 -126.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t -146.88 130.85 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 110.829 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -116.63 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.759 HD23 HD12 ' A' ' 27' ' ' LEU . 14.6 tp -113.09 96.84 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -86.97 119.31 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.24 112.43 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.744 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -90.46 146.44 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.93 49.26 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.168 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.26 117.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.744 ' O ' HG21 ' A' ' 97' ' ' VAL . 41.1 mtp180 -95.53 171.28 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -66.72 -28.13 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.472 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.2 pp20? -72.96 -45.14 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.472 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 25.5 m170 -36.75 -40.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.6 t -46.48 118.87 2.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.41 -134.47 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 26.5 p -137.26 145.25 43.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 4.2 m-85 -119.29 170.82 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 91' ' ' ALA . 91.6 m -151.15 122.89 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -100.09 110.95 23.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 tp -102.12 118.63 37.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.863 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -118.08 108.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -110.09 144.14 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.5 t30 -149.62 156.61 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -38.37 -31.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.57 -74.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.19 -132.74 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.502 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.4 p -168.62 164.01 12.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.4 tpt180 -151.34 158.77 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -147.52 133.58 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 79' ' ' THR . . . -119.9 -175.74 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -156.93 141.96 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -145.61 130.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.16 128.4 37.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.6 tp -120.12 152.7 37.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.3 m -137.57 139.22 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.744 HG21 ' O ' ' A' ' 71' ' ' ARG . 48.3 t -108.53 134.36 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.49 120.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' CG ' ' HA ' ' A' ' 88' ' ' SER . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.706 0.211 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -155.01 127.95 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mt -89.12 98.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.767 HD12 ' CG2' ' A' ' 32' ' ' THR . 0.3 OUTLIER -81.51 -19.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -124.04 119.28 29.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 5.2 t80 -158.07 140.38 10.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.79 132.08 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 44.5 mt-10 -88.52 173.05 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 2.6 p-10 -37.24 111.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -130.6 171.33 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -115.66 169.47 9.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -159.43 139.2 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.1 mmt180 -80.03 113.76 18.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -35.11 110.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.64 6.62 30.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -95.23 -175.28 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 p -122.45 118.55 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -109.38 154.98 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.67 99.23 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 mt -103.0 101.69 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -120.36 141.46 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.81 109.58 1.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -67.56 126.09 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.762 HG11 HG11 ' A' ' 82' ' ' VAL . 17.8 m -106.81 145.49 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.767 ' CG2' HD12 ' A' ' 11' ' ' ILE . 2.1 p -105.83 -32.79 8.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.756 ' C ' HD11 ' A' ' 37' ' ' ILE . . . -38.96 161.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.9 m -63.91 134.17 54.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 25.8 mm-40 -86.97 156.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.3 Cg_endo -69.75 162.65 83.67 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.3 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.756 HD11 ' C ' ' A' ' 33' ' ' GLY . 51.0 mt -133.42 121.95 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.53 ' O ' HG12 ' A' ' 82' ' ' VAL . 21.1 m -64.16 157.5 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.482 ' SG ' HG12 ' A' ' 82' ' ' VAL . 72.8 m -150.01 126.06 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.3 m -137.39 113.86 10.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' HB3' HD12 ' A' ' 48' ' ' ILE . 64.5 m95 -89.66 119.99 30.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 79' ' ' THR . 13.6 mtm -132.65 135.99 46.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 58.55 45.79 15.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 63.07 30.16 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -127.91 111.85 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.52 127.17 26.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 41' ' ' TRP . 63.4 mt -78.61 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -105.08 118.42 36.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -49.59 135.93 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 t -175.04 165.27 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 68' ' ' LEU . 21.6 tp10 -53.1 -22.71 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -87.46 -37.05 17.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.5 mtp -133.66 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.6 mttm -96.82 167.44 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' C ' ' OE2' ' A' ' 57' ' ' GLU . 53.4 t -144.34 124.04 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.6 mp0 -112.22 106.04 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -92.39 133.74 35.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -165.4 168.17 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.8 OUTLIER -39.15 -70.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' GLU . 78.0 m-20 -35.07 -41.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.86 -134.7 4.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.1 t -131.0 150.99 51.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -133.21 128.92 36.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 55' ' ' LYS . 14.7 tp -108.04 99.88 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -88.91 116.11 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.67 ' HB ' HG12 ' A' ' 25' ' ' VAL . 74.2 mt -99.95 114.57 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.722 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.1 mm? -92.59 149.94 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.53 50.89 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.91 110.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.71 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.5 mtp85 -89.91 162.36 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -66.87 -6.76 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -95.44 -36.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -47.57 -31.5 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.64 121.17 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.86 -151.91 13.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 54.0 t -123.7 102.65 7.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.37 158.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' MET . 27.7 m -141.9 114.92 8.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.411 HD13 ' NE1' ' A' ' 41' ' ' TRP . 29.7 tp -92.58 108.28 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.73 115.75 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.762 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.08 99.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 32.8 mt-10 -102.12 153.31 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' HD13 ' A' ' 86' ' ' LEU . 9.2 p-10 -159.14 179.4 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -52.17 -42.78 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 86' ' ' LEU . 3.9 mp -67.47 -75.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.31 -142.68 3.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.452 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 12.8 p -157.56 155.24 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.446 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.9 tpt180 -138.03 156.4 47.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -141.84 125.7 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.78 -175.67 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -160.43 125.54 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.17 122.47 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.01 129.2 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 tp -119.61 143.98 47.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.8 m -126.63 133.44 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.71 HG21 ' O ' ' A' ' 71' ' ' ARG . 46.0 t -101.55 132.25 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.98 129.99 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.123 0 CA-C-O 120.75 0.229 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CG ' HG23 ' A' ' 32' ' ' THR . 4.3 pt20 -145.59 141.04 27.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 91' ' ' ALA . 21.1 mt -93.62 92.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.83 -21.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -128.1 128.48 44.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 8.3 t80 -162.17 139.75 6.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.69 132.45 23.48 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -86.56 -177.72 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.05 119.04 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.31 -178.93 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -130.01 167.77 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 p -157.21 132.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -71.4 119.69 15.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 113.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.412 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 103.21 11.9 32.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -97.25 -174.95 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.8 p -122.17 117.55 26.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.784 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -117.84 171.23 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' H ' HG22 ' A' ' 25' ' ' VAL . 9.8 pt-20 -161.29 109.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.62 115.49 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -114.6 133.29 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -117.92 97.5 0.73 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HB3' HD11 ' A' ' 11' ' ' ILE . 18.8 tttp -57.23 123.26 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.02 HG11 HG11 ' A' ' 82' ' ' VAL . 22.5 m -117.59 136.85 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.454 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.7 t -129.46 148.01 51.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.89 -103.54 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -149.47 108.16 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.171 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.2 mm-40 -68.17 154.63 93.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.69 160.51 87.68 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.356 -0.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -139.27 120.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -71.58 149.68 45.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 82' ' ' VAL . 61.4 m -148.92 108.94 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -119.0 148.9 42.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.57 ' HB3' HD12 ' A' ' 48' ' ' ILE . 59.0 m95 -112.61 126.52 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.3 mtm -137.12 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -155.56 118.61 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 63.85 38.15 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.9 mmm180 68.46 44.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 5.1 pttp -146.4 126.24 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -72.16 114.47 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.57 HD12 ' HB3' ' A' ' 41' ' ' TRP . 78.8 mt -61.39 140.05 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -100.44 125.92 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.42 139.32 49.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.1 p -174.4 168.66 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.6 -19.76 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 20.6 m-70 -88.51 -37.97 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 52.6 mtp -133.26 106.22 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -103.91 169.75 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -141.92 122.17 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -105.35 81.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.42 134.8 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -159.45 169.81 23.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -39.18 -42.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.563 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 171.27 -131.32 2.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 5.8 t -151.0 132.22 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.852 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -110.25 146.63 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 tp -125.1 96.72 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -84.41 139.77 32.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.784 ' HB ' HG12 ' A' ' 25' ' ' VAL . 82.4 mt -121.93 112.93 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.77 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -93.68 148.56 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 43.41 50.68 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.67 144.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.518 ' HE ' ' CE1' ' A' ' 74' ' ' HIS . 64.5 mtm180 -129.29 141.96 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' ARG . 6.8 tp60 -35.56 -37.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' HIS . 11.6 pt-20 -60.44 -47.01 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.518 ' CE1' ' HE ' ' A' ' 71' ' ' ARG . 12.0 m80 -37.4 -41.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -37.58 129.71 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.88 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.91 172.93 15.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.425 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.7 p -93.0 132.47 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -97.98 177.67 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -152.79 121.08 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.93 110.78 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 89' ' ' ARG . 25.4 tp -96.67 124.39 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.02 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -124.2 102.3 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 47.8 mt-10 -102.4 154.07 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 18.2 t30 -159.27 153.59 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -35.35 -40.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 85' ' ' LYS . 48.1 mt -70.86 -72.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.51 -154.96 6.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 34.5 p -149.19 162.62 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 81' ' ' LEU . 1.4 tpm_? -148.38 163.43 37.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -149.23 136.87 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.582 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -116.16 179.58 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -154.22 137.04 15.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.79 121.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -78.28 133.78 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 tp -126.99 147.17 50.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.8 m -135.09 139.43 44.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.6 t -107.45 138.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.46 122.37 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.2 t0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -161.71 144.92 12.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -126.38 130.32 50.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.56 -125.64 7.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m 43.58 47.98 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -84.0 -49.54 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . 172.61 168.52 34.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' THR . 54.2 Cg_endo -69.67 123.96 10.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.473 ' HG2' HG23 ' A' ' 32' ' ' THR . 6.9 pt20 -134.02 150.86 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.5 97.27 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.79 -24.83 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -121.87 128.64 51.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.1 t80 -166.89 139.64 2.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.73 0.776 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.581 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 144.34 53.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -101.83 176.75 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -38.79 114.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -136.48 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -120.12 168.28 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.1 p -159.27 137.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 18.8 mmt85 -76.89 133.97 39.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 112.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.29 -20.62 25.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 4.0 mm-40 -67.54 -175.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -127.71 123.45 35.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.75 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.6 p -114.48 155.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -131.92 102.52 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.0 mt -99.39 107.89 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.36 137.89 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -125.33 90.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HB3' HD11 ' A' ' 11' ' ' ILE . 33.3 tttt -49.98 133.24 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.057 HG11 HG11 ' A' ' 82' ' ' VAL . 34.6 m -125.67 140.63 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.473 HG23 ' HG2' ' A' ' 9' ' ' GLN . 1.9 t -126.85 152.83 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.44 -122.52 1.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.434 ' OG1' HD11 ' A' ' 86' ' ' LEU . 92.4 m -134.26 112.78 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.303 . . . . 0.0 111.141 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -73.68 155.52 89.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.11 88.47 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.377 -0.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.433 ' HB ' ' NE2' ' A' ' 35' ' ' GLN . 43.6 mt -136.57 126.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.7 m -80.53 144.27 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 p -146.41 124.02 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.6 m -125.63 141.89 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.9 m95 -107.98 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.38 172.56 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -152.1 132.53 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 47.02 47.38 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 61.3 43.46 10.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -153.19 110.45 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -54.82 130.18 39.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.0 mt -72.0 144.52 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -106.0 122.13 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -57.81 123.1 14.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.6 p -152.4 -175.75 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.75 1.45 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -112.38 -28.72 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.588 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 34.7 mtp -138.62 111.15 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -107.23 154.66 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.57 135.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -123.72 89.71 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -73.71 122.67 22.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 m -143.76 178.29 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -61.94 -63.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -40.45 -34.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.826 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 162.73 -154.33 25.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.526 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -126.56 138.25 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -117.62 146.1 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -132.3 101.16 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -87.33 138.99 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.75 ' HB ' HG12 ' A' ' 25' ' ' VAL . 84.7 mt -119.61 98.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.11 145.2 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 51.34 50.1 19.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -36.5 121.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.856 ' O ' HG21 ' A' ' 97' ' ' VAL . 47.8 mtp85 -103.37 163.61 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -60.37 -31.73 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.67 -31.59 59.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -51.66 -25.18 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.548 ' HB2' HG23 ' A' ' 97' ' ' VAL . 2.5 t -58.66 121.56 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.85 175.55 34.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.8 t -91.42 128.27 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 2.9 m-85 -97.62 178.3 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.0 m -155.2 115.65 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.3 tp -96.28 111.43 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -96.39 137.57 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.057 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.3 105.33 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.14 157.43 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' LEU . 8.0 t30 -166.94 155.01 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ASN . 84.0 tttt -35.86 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' ASN . 96.0 mt -73.55 -74.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 -138.83 3.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 p -160.73 161.82 32.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.5 tpt180 -154.19 158.31 40.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -148.45 126.39 11.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.53 -179.84 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -153.98 140.8 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.16 135.74 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -91.61 141.63 28.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.85 146.59 49.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.5 m -137.12 135.48 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.856 HG21 ' O ' ' A' ' 71' ' ' ARG . 30.7 t -102.64 131.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.48 122.86 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -95.13 12.61 28.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.72 153.19 38.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -169.84 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.306 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.46 149.25 61.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 164.41 34.62 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.743 2.295 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 150.11 67.91 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.734 2.29 . . . . 0.0 112.319 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.73 145.24 41.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.78 40.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.2 p -101.35 141.85 23.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 0.0 111.154 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.3 8.97 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.5 t 60.78 34.02 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -90.98 -94.85 1.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 m 55.58 38.9 30.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.4 p -113.35 128.14 56.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 64.68 40.79 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -85.9 135.66 33.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.24 147.68 7.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' HB2' HD21 ' A' ' 86' ' ' LEU . 88.8 p -123.45 98.12 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -101.05 -51.77 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.89 170.09 17.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.7 Cg_endo -69.75 145.79 58.31 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.308 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.534 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.7 pt20 -149.27 146.78 27.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 91' ' ' ALA . 28.1 mt -101.03 92.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -78.68 -26.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -123.03 125.08 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.5 t80 -160.29 139.5 7.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.8 130.44 19.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -91.77 -179.76 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.97 117.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.2 pt20 -138.32 176.53 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -126.15 170.13 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.1 p -158.98 133.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ALA . 7.5 mmt85 -73.63 116.03 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.42 112.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 10.72 31.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.55 176.28 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.4 p -113.83 118.49 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.554 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -109.16 156.89 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -136.42 105.58 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 65' ' ' LEU . 38.5 mt -103.55 98.9 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' HB2' ' CE ' ' A' ' 64' ' ' LYS . 8.7 t80 -111.09 131.23 55.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.44 98.78 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HB3' HD11 ' A' ' 11' ' ' ILE . 31.6 tttt -57.78 127.75 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.038 HG11 HG11 ' A' ' 82' ' ' VAL . 34.2 m -119.73 141.05 41.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.534 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.7 t -133.51 148.88 51.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.1 -99.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' HD13 ' A' ' 86' ' ' LEU . 90.4 m -148.1 115.05 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.712 0.291 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.7 mm-40 -79.37 155.33 76.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.0 Cg_endo -69.69 159.96 88.59 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.385 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.16 124.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.8 m -73.48 148.82 42.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' SG ' HG12 ' A' ' 82' ' ' VAL . 63.1 m -144.95 120.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.3 m -129.23 134.24 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.529 ' HB3' HD12 ' A' ' 48' ' ' ILE . 44.0 m95 -106.56 111.87 24.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtm -118.43 173.68 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -153.6 128.17 9.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 54.06 48.04 21.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 mmt-85 58.73 40.98 22.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -152.54 114.53 4.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -51.69 141.32 16.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 41' ' ' TRP . 95.5 mt -83.17 145.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -101.12 120.91 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.29 128.87 39.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.4 p -171.44 161.6 6.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.9 tp10 -45.89 -27.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -77.93 -41.84 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.0 mtp -135.01 101.12 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -98.72 165.18 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.19 141.27 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.52 82.55 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 119.81 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 m -142.87 178.51 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.29 -66.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -40.23 -39.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.552 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 166.43 -137.73 4.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -139.65 150.72 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' CE ' ' HB2' ' A' ' 28' ' ' PHE . 30.6 ttmt -128.17 154.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 27' ' ' LEU . 14.3 tp -131.49 97.22 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 m -88.26 119.27 28.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.554 ' HB ' HG12 ' A' ' 25' ' ' VAL . 76.6 mt -103.01 117.32 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.6 mm? -90.83 148.46 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.5 49.26 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.31 105.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.576 ' O ' HG21 ' A' ' 97' ' ' VAL . 34.8 mtp85 -87.06 166.17 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.84 -21.27 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 75' ' ' CYS . 10.5 pt-20 -77.94 -39.99 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -43.15 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.42 ' N ' ' C ' ' A' ' 73' ' ' GLU . 2.0 t -54.34 134.51 45.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.49 -167.57 30.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.12 136.44 47.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.51 161.04 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -141.27 114.35 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 tp -95.41 114.25 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 89' ' ' ARG . 24.3 tp -103.34 127.93 50.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.038 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -126.12 103.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 31.8 mt-10 -106.23 153.98 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 8.2 p-10 -158.8 -179.11 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -52.78 -47.89 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 86' ' ' LEU . 5.9 mp -62.77 -75.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.04 -136.58 2.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.455 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 11.4 p -162.07 169.3 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.558 ' O ' HD12 ' A' ' 81' ' ' LEU . 24.4 tpt85 -152.2 159.81 43.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.4 123.29 11.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -108.48 173.33 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -146.22 154.34 41.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -158.95 141.99 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -99.31 140.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.9 tp -132.83 151.28 52.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.3 m -140.48 136.74 33.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 71' ' ' ARG . 40.5 t -104.81 138.86 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.08 126.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -102.13 16.26 26.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -166.93 152.73 7.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 133.23 25.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.09 145.02 39.02 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.556 0.693 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 138.93 39.1 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -167.03 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.617 2.212 . . . . 0.0 112.325 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.79 54.34 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -102.34 171.57 21.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.4 m -156.03 127.58 3.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 96.07 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.0 m -42.51 -51.57 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.77 149.54 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.439 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 130.98 20.2 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.4 t -125.07 134.33 52.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.4 m -55.55 -51.73 66.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -81.65 42.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -71.77 164.47 25.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.43 -156.23 9.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -78.98 125.1 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -126.27 137.44 53.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.97 168.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.5 Cg_endo -69.78 134.72 28.63 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.351 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.452 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.3 pt20 -140.49 156.6 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 91' ' ' ALA . 30.7 mt -108.67 95.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.94 -31.88 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.506 ' NE2' HG12 ' A' ' 11' ' ' ILE . 1.7 mp0 -123.39 133.51 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 24.3 t80 -168.76 139.42 1.99 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 138.76 38.42 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 50.7 mt-10 -100.24 174.97 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.3 p-10 -34.29 115.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -135.88 176.06 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -122.49 172.4 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 p -160.15 140.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ALA . 13.2 mmt180 -79.92 112.43 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -34.15 110.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.18 11.9 24.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -103.81 176.64 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.5 p -112.67 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -112.21 148.89 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -130.52 103.91 6.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 65' ' ' LEU . 24.3 mt -103.14 98.58 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -105.59 129.48 53.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.5 92.36 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HB3' HD11 ' A' ' 11' ' ' ILE . 26.6 tttt -54.18 130.13 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.088 HG11 HG11 ' A' ' 82' ' ' VAL . 35.5 m -125.35 141.58 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.452 HG23 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -129.23 157.74 41.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.55 -114.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -138.14 112.73 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 35.2 mm-40 -75.26 155.15 86.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.583 0.706 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.78 159.51 89.62 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.328 -0.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.1 mt -134.41 120.64 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -68.36 149.07 49.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.601 ' SG ' HG12 ' A' ' 82' ' ' VAL . 74.7 m -147.91 108.71 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.0 m -118.06 130.95 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.406 ' NE1' HD13 ' A' ' 80' ' ' LEU . 39.7 m95 -101.25 119.42 38.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mtm -126.16 170.92 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -152.77 122.65 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 64.12 40.75 6.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 63.67 32.36 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 128.7 23.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.82 132.65 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.78 149.97 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -107.61 120.96 43.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.25 132.06 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.3 p -173.9 165.91 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -51.16 -17.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -88.29 -38.97 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.1 mtp -137.07 105.1 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -101.5 165.5 11.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.77 125.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -105.28 77.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -68.18 122.49 18.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -152.42 160.55 43.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -40.97 -59.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.04 -40.79 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.541 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.82 -134.02 3.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -143.21 137.84 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -123.06 122.37 38.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 27' ' ' LEU . 8.8 tp -100.99 102.22 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -92.63 120.59 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.604 ' CG2' ' CE1' ' A' ' 74' ' ' HIS . 46.5 mt -104.08 121.97 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.686 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -93.45 151.3 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 41.3 54.51 3.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -36.78 110.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.955 ' O ' HG21 ' A' ' 97' ' ' VAL . 37.6 mtp85 -94.32 167.98 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.43 -39.4 83.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' HIS . 1.1 pp20? -60.35 -45.57 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 27.0 m170 -36.28 -39.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.9 t -42.0 121.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.55 172.8 25.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 52.2 t -91.52 140.0 30.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.5 m-85 -110.4 178.92 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 91' ' ' ALA . 96.6 m -158.01 120.04 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD13 ' NE1' ' A' ' 41' ' ' TRP . 14.7 tp -100.35 100.65 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 90' ' ' GLN . 14.5 tp -87.56 123.22 32.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.088 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -120.79 107.57 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' LYS . 8.7 t30 -163.92 153.63 14.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' ASN . 54.9 tttt -36.78 -34.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.7 mt -72.72 -72.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.13 -142.01 3.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.1 p -158.79 167.3 29.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -159.23 167.86 27.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' HB3' HD12 ' A' ' 81' ' ' LEU . 14.7 pt20 -161.27 136.21 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' THR . . . -109.52 -175.07 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -154.53 125.09 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.21 129.32 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -88.4 145.53 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -131.43 154.0 49.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.9 m -145.05 136.47 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.955 HG21 ' O ' ' A' ' 71' ' ' ARG . 47.9 t -104.31 137.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.4 122.55 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 100' ' ' LYS . 10.8 t70 -90.0 8.21 33.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -146.55 148.15 32.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.423 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 54.1 Cg_endo -69.73 178.26 4.73 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.71 2.273 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.19 149.98 80.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 154.57 67.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.46 30.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.67 -52.17 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.1 -164.86 28.95 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.3 t -131.95 143.72 50.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 111.174 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.16 20.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.6 t -104.2 129.77 51.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.87 83.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.39 6.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.286 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.1 t -119.0 -61.88 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 m -65.06 90.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 p -51.54 105.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -55.4 119.34 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.92 154.84 25.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m 48.39 54.54 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -80.06 174.16 11.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.26 176.63 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 139.1 39.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.55 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.4 pt20 -142.0 150.23 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.624 HD13 ' HB2' ' A' ' 91' ' ' ALA . 19.5 mt -104.0 95.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -78.21 -25.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.27 126.1 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 t80 -161.64 139.61 6.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 132.67 23.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.72 -177.95 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 1.6 p-10 -43.81 111.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 2.8 pt20 -133.48 176.17 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -124.22 169.98 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.9 p -161.48 136.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -71.46 135.93 47.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.66 111.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.0 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.54 -175.06 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.3 p -124.49 124.4 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.3 p -107.73 149.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -132.03 102.09 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.6 mt -102.93 105.62 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 19.3 t80 -113.83 133.31 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' HA3' ' CD2' ' A' ' 80' ' ' LEU . . . -115.09 88.51 0.47 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB3' HD11 ' A' ' 11' ' ' ILE . 44.5 tttt -50.02 139.19 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.929 HG11 HG11 ' A' ' 82' ' ' VAL . 27.7 m -132.03 144.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.55 HG23 ' CG ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -110.36 -76.76 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.85 -128.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.634 ' N ' HD11 ' A' ' 37' ' ' ILE . 94.3 m -141.82 112.05 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 0.0 111.147 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.25 153.87 94.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.74 149.57 88.73 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.352 0.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.634 HD11 ' N ' ' A' ' 34' ' ' THR . 29.9 mt -132.52 129.3 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -76.04 141.93 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 1.7 m -136.74 128.66 29.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -132.66 144.02 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.452 ' HE1' ' HG ' ' A' ' 63' ' ' SER . 49.5 m95 -113.24 123.38 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -132.21 167.25 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -149.62 120.92 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 60.44 45.97 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 61.08 36.55 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -147.22 107.28 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -50.91 131.25 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 41' ' ' TRP . 81.9 mt -72.42 149.11 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -105.41 125.67 51.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.51 131.37 50.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -175.05 167.23 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.44 -22.53 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -82.73 -39.85 21.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 57.1 mtp -137.96 105.36 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -98.99 165.29 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.4 t -141.11 135.67 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -125.04 80.88 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.79 142.56 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.25 -178.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.04 -50.2 28.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -51.8 -39.58 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 153.76 -128.62 2.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 9.1 t -143.17 125.53 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.65 148.39 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.8 tp -127.56 98.64 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.8 m -91.92 112.16 23.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.692 ' HB ' HG12 ' A' ' 25' ' ' VAL . 96.2 mt -97.26 121.9 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -93.02 153.45 18.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 41.53 53.73 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.0 93.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ALA . 35.4 mtp85 -79.06 157.17 28.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.65 -15.88 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -83.5 -38.0 22.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -45.45 -27.76 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.59 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.44 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.2 t -54.88 118.03 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.18 41.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.53 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.86 127.74 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 6.2 m-85 -103.26 167.55 9.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 91' ' ' ALA . 41.5 m -149.5 116.29 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 12.2 tp -93.03 109.82 21.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 89' ' ' ARG . 23.0 tp -100.56 121.56 41.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.929 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -120.89 110.45 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.12 158.58 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.3 p-10 -163.21 -176.46 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -57.71 -37.08 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.93 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.99 -145.38 4.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 p -151.56 174.0 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' O ' HD12 ' A' ' 81' ' ' LEU . 11.5 tpp180 -161.79 155.92 22.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -141.84 133.74 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -109.23 -178.15 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -155.6 131.25 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.03 136.67 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -101.46 135.78 42.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 13.4 tp -126.25 152.63 45.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.8 m -139.62 126.09 20.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 71' ' ' ARG . 26.8 t -95.45 134.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.52 116.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -87.85 11.05 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -151.81 153.94 32.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -179.53 2.99 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.37 149.99 86.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.709 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.53 51.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.75 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.228 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 58.58 44.71 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -156.48 -51.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 107' ' ' THR . 3.0 t -89.16 119.9 69.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.137 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -24.34 29.84 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.3 p -83.99 75.98 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -135.78 166.64 24.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -177.18 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.9 t -126.01 -50.28 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.4 p -90.16 86.64 6.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -127.45 126.71 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.5 p -128.77 164.44 23.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.1 -48.42 6.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -66.38 85.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -101.87 144.46 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . -46.13 173.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.4 Cg_endo -69.77 139.25 39.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.236 . . . . 0.0 112.327 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' CG ' HG23 ' A' ' 32' ' ' THR . 5.4 pt20 -143.83 144.37 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -98.84 97.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.57 -23.8 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -123.41 124.71 43.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.4 t80 -160.34 139.9 8.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 131.27 20.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -86.04 -176.41 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -48.05 115.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -133.68 176.33 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -125.64 164.77 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 p -153.34 144.11 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 21' ' ' ALA . 2.2 mmt85 -84.64 114.67 22.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -37.12 111.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.04 2.63 31.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.71 -178.24 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.0 p -119.98 117.12 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -105.47 155.27 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -134.06 91.38 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.584 HD12 HD23 ' A' ' 65' ' ' LEU . 39.5 mt -91.39 113.06 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -120.91 135.92 55.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.69 95.36 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' HD11 ' A' ' 11' ' ' ILE . 25.8 tttp -56.19 134.41 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.971 HG11 HG11 ' A' ' 82' ' ' VAL . 34.8 m -125.22 142.59 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.5 t -132.72 153.74 50.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.4 -104.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.0 m -148.92 113.25 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 111.16 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.6 mm-40 -73.35 155.63 89.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.1 Cg_endo -69.84 161.1 87.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.318 0.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.7 mt -135.47 134.94 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.518 ' O ' HG12 ' A' ' 82' ' ' VAL . 7.3 m -86.46 156.05 20.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 3.7 m -153.64 109.87 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.9 m -119.64 128.28 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.578 ' HB3' HD12 ' A' ' 48' ' ' ILE . 71.7 m95 -96.26 118.27 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.1 mtm -131.94 162.64 30.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -145.1 136.95 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 51.21 43.06 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 63.64 26.69 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 111.42 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.74 137.08 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' A' ' 41' ' ' TRP . 82.7 mt -82.34 145.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.06 123.08 48.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -47.12 142.3 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.01 179.1 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -70.9 -2.77 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -114.3 -31.46 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' HG23 ' A' ' 48' ' ' ILE . 24.8 mtp -129.7 105.81 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.657 ' O ' HD12 ' A' ' 65' ' ' LEU . 31.9 mmtt -95.07 -179.07 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 55' ' ' LYS . 69.1 t -161.83 122.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -113.48 92.84 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -85.97 124.44 32.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 m -154.8 164.99 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -44.08 -63.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.17 -39.82 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.529 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 162.82 -152.23 22.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.2 t -131.97 136.91 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.407 . . . . 0.0 110.866 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 65' ' ' LEU . 34.4 ttmt -113.64 157.15 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 55' ' ' LYS . 21.1 tp -132.99 97.7 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -91.03 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.511 ' HB ' HG12 ' A' ' 25' ' ' VAL . 38.8 mt -98.74 118.77 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 68' ' ' LEU . 2.7 mm? -90.91 147.78 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.42 52.12 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.89 136.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.625 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.8 mtp85 -114.38 162.06 17.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -60.67 -21.52 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.29 -23.97 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -65.8 -13.64 59.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.14 118.75 12.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.12 -155.29 24.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.43 124.22 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -96.7 177.89 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.0 m -162.05 125.63 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -101.05 106.69 18.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.3 tp -94.55 116.65 29.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.971 HG11 HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -115.56 105.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' THR . 15.7 mt-10 -111.21 142.85 42.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.461 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 29.5 p-10 -149.84 -175.01 4.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.99 -32.03 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 43.0 mt -73.76 -74.87 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.74 -139.6 3.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p -156.98 154.23 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.2 tpt180 -143.85 158.24 43.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -146.55 138.02 24.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 79' ' ' THR . . . -115.89 -176.98 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -156.48 125.75 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.72 124.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -83.79 135.99 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -127.74 153.71 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.5 m -140.72 127.44 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.625 HG21 ' O ' ' A' ' 71' ' ' ARG . 47.3 t -99.58 130.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.81 129.63 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -102.23 18.55 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -123.89 149.72 60.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.546 0.688 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.13 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -65.04 151.07 94.38 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 164.7 33.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.728 2.286 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 168.54 21.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.19 111.74 24.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.96 -78.02 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.2 p -75.1 143.7 77.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 111.157 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.6 t -151.84 142.53 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.12 -170.91 29.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.64 19.66 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.8 m -69.44 168.74 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.0 p -117.24 161.98 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -111.05 -57.2 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -124.31 -62.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.8 -99.79 2.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -60.14 96.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.374 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -115.43 -61.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.62 166.02 31.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 138.38 37.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.548 ' CG ' HG23 ' A' ' 32' ' ' THR . 19.7 pt20 -144.32 150.79 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mt -106.27 98.98 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.683 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.91 -26.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -121.22 121.39 37.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.5 t80 -157.76 139.61 10.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 132.33 23.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -88.79 176.66 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.37 119.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -139.33 173.11 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -121.32 166.6 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 p -158.08 141.05 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -75.67 135.55 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.0 111.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.25 -17.26 19.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.63 -174.99 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -128.99 132.39 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.509 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -117.09 152.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -127.28 88.94 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -87.87 100.92 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -111.0 131.09 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.08 100.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -60.61 126.24 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.108 HG11 HG11 ' A' ' 82' ' ' VAL . 34.3 m -117.68 140.95 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.548 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.3 t -127.15 151.44 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.38 -116.88 0.75 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.4 m -134.65 104.36 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.23 154.32 95.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.82 160.57 87.97 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.323 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.0 mt -137.63 123.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 82' ' ' VAL . 8.5 m -65.21 148.06 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.3 m -146.73 109.7 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 83.6 m -123.75 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.644 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.6 m95 -108.14 121.79 45.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.8 mtm -128.25 165.38 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -144.2 116.28 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 63.52 40.01 8.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 67.9 43.4 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 15.1 pttt -144.75 125.64 14.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -68.66 113.87 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 41' ' ' TRP . 92.5 mt -58.49 142.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -100.86 124.46 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.36 127.17 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.8 p -164.28 175.73 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.44 -6.2 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -101.28 -36.58 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.2 mtp -135.77 105.18 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -103.12 165.75 10.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -140.95 127.9 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -110.81 82.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.4 118.68 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 m -136.74 177.05 8.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.13 -60.75 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -45.71 -37.44 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.65 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 171.63 -138.22 4.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -143.57 145.56 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -120.69 139.43 53.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -119.47 95.23 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -83.77 122.74 29.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.509 ' HB ' HG12 ' A' ' 25' ' ' VAL . 51.4 mt -106.35 102.73 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.674 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.5 mm? -82.55 144.23 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 50.02 51.85 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.6 106.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.929 ' O ' HG21 ' A' ' 97' ' ' VAL . 33.6 mtp180 -87.07 177.34 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -72.63 -32.16 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' CYS . 0.9 OUTLIER -66.77 -44.22 81.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -40.26 -31.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' GLU . 13.4 t -50.69 111.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.08 -168.63 41.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.515 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.64 122.34 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -92.34 175.88 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -156.76 121.7 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 tp -99.1 105.55 17.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 89' ' ' ARG . 26.6 tp -94.08 120.63 34.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.108 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.0 106.64 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.55 148.05 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.6 t30 -154.01 155.42 35.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -35.63 -38.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.08 -74.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.21 -134.56 2.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 p -166.66 159.41 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.9 tpt180 -144.37 160.65 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -144.97 141.9 29.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 92' ' ' GLN . . . -119.45 -179.12 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 91' ' ' ALA . 67.8 mt-30 -159.01 121.81 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.49 123.25 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -81.03 140.39 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 tp -130.7 157.59 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.6 m -145.64 134.22 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.929 HG21 ' O ' ' A' ' 71' ' ' ARG . 39.8 t -103.04 135.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.99 113.35 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -88.15 13.83 10.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -149.06 151.18 33.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 144.25 53.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.4 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 2.4 t70 -117.82 140.0 27.14 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 53.6 Cg_endo -69.81 165.94 29.34 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 132.48 23.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.734 2.289 . . . . 0.0 112.293 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.54 131.84 46.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -43.22 129.25 5.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.39 126.83 14.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.551 0.691 . . . . 0.0 111.188 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.91 7.57 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.734 2.289 . . . . 0.0 112.324 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.7 t -78.92 173.16 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -147.9 120.5 1.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.393 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -149.37 165.58 31.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.9 t -38.76 145.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 m -146.56 112.69 5.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -110.55 173.43 6.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.76 52.48 0.57 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -64.35 84.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.9 p -82.74 138.18 34.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . -49.47 175.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.9 Cg_endo -69.73 134.58 28.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.351 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -143.86 147.71 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 91' ' ' ALA . 18.1 mt -101.41 98.03 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.652 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.8 -25.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.96 132.01 54.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 t80 -162.5 140.63 6.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.7 128.74 16.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.236 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -81.43 169.39 17.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 4.1 p-10 -40.0 109.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -124.74 165.67 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.15 167.23 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.9 p -157.78 136.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.0 mmt85 -77.69 114.11 16.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.68 113.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.13 38.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -98.89 174.97 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.0 p -107.3 120.34 41.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -118.5 170.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.486 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.7 pp20? -158.74 129.48 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.31 109.69 15.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -111.33 128.85 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.51 96.37 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HB3' HD11 ' A' ' 11' ' ' ILE . 31.5 tttp -54.87 127.34 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.042 HG11 HG11 ' A' ' 82' ' ' VAL . 34.7 m -120.1 141.2 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 5.1 t -128.52 155.24 45.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.59 -106.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -147.57 106.79 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -67.02 155.08 91.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.91 87.16 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.355 -0.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.1 mt -135.75 120.6 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 39' ' ' CYS . 94.0 m -70.94 153.08 42.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 38' ' ' THR . 7.1 m -152.54 106.21 3.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 m -120.63 135.03 55.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.656 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.3 m95 -101.45 126.48 48.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mtm -129.74 140.76 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 31.0 tptt -110.35 131.54 54.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 47.5 46.91 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 63.16 27.89 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -132.08 111.83 11.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -45.64 121.93 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 41' ' ' TRP . 98.9 mt -69.0 147.13 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.82 116.83 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -49.84 137.04 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -175.21 165.03 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.537 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.9 tp10 -52.47 -24.72 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -82.8 -39.31 21.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 39.8 mtp -133.35 103.61 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -102.6 166.57 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -140.55 130.87 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -115.94 83.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -67.43 138.03 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -161.43 168.09 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 10.5 tt0 -52.64 -59.43 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -45.53 -38.44 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 165.18 -132.56 2.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -146.75 143.15 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -122.43 125.69 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.49 100.14 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 m -87.3 133.52 33.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.766 ' HB ' HG12 ' A' ' 25' ' ' VAL . 84.5 mt -116.12 115.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.766 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -94.07 149.8 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.14 41.77 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.3 127.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 97' ' ' VAL . 31.7 mtp85 -102.19 169.83 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -65.58 -9.69 28.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -90.1 -27.59 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -56.33 -30.04 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.606 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.401 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.9 t -57.33 125.4 22.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 -139.56 5.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.447 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 36.7 m -134.29 112.45 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 78.0 m-85 -84.15 173.33 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -148.77 112.74 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 41' ' ' TRP . 20.4 tp -95.81 114.73 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 89' ' ' ARG . 18.5 tp -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.042 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -134.83 99.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 81' ' ' LEU . 43.5 mt-10 -101.34 147.0 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.8 t30 -152.63 153.07 32.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 29.6 ttpt -34.69 -36.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 85.0 mt -70.07 -73.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.21 -133.01 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 p -166.37 168.08 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.483 ' HB3' HG23 ' A' ' 82' ' ' VAL . 7.7 tpt85 -157.46 160.86 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 14.2 pt20 -148.41 122.71 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -106.83 174.76 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.458 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.8 mp0 -149.52 144.45 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.9 p -147.95 131.93 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.36 136.57 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.9 tp -128.74 135.99 49.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -118.21 129.17 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 71' ' ' ARG . 53.3 t -101.25 136.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.6 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -94.66 10.55 34.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -142.57 142.8 24.13 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.684 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.87 29.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.367 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -97.15 147.74 33.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.623 0.725 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.93 20.15 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 143.37 50.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -172.91 148.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.24 -139.34 10.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 p -54.2 143.03 46.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.554 0.693 . . . . 0.0 111.189 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.75 107.42 1.85 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 108' ' ' PRO . 28.5 t -38.29 145.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -171.91 82.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.66 21.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.8 p -76.39 165.45 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -130.75 42.46 3.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -114.46 128.55 56.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.807 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -103.48 133.13 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.02 -107.09 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -124.02 97.24 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.895 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' GLY . 46.5 p -100.28 137.61 38.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . -45.17 172.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 144.79 55.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' HG3' HG23 ' A' ' 32' ' ' THR . 4.7 pt20 -149.61 137.57 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 91' ' ' ALA . 16.4 mt -92.65 98.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.637 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.6 -24.37 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -121.44 123.32 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 5.9 t80 -157.68 140.07 10.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.83 129.89 18.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 16' ' ' ASP . 80.7 mt-10 -84.8 167.01 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.4 p-10 -34.77 110.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -124.12 -179.83 4.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.6 162.85 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.85 139.72 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.1 mmt85 -76.87 110.73 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -34.7 106.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.01 11.1 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -101.44 -179.37 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.9 p -109.7 121.89 46.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -122.23 175.4 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.601 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.4 pp20? -165.45 128.37 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.402 HD12 HD23 ' A' ' 65' ' ' LEU . 20.3 mt -119.71 111.05 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.41 124.3 50.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.14 99.56 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -57.59 122.06 11.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.046 HG11 HG11 ' A' ' 82' ' ' VAL . 34.9 m -112.5 140.21 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 9' ' ' GLN . 1.8 t -127.97 148.7 50.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.53 -114.66 0.62 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.661 ' OG1' HD11 ' A' ' 86' ' ' LEU . 45.5 m -136.63 110.88 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 111.185 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.22 155.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.2 Cg_endo -69.77 160.96 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.335 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.1 mt -134.68 123.14 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 4.0 m -73.85 151.8 40.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -149.73 115.94 5.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.11 145.64 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.552 ' HB3' HD12 ' A' ' 48' ' ' ILE . 66.2 m95 -112.3 131.62 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.423 ' CB ' ' HA ' ' A' ' 47' ' ' GLN . 4.9 mtm -136.72 136.3 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -106.29 148.92 27.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 37.58 49.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 56.79 39.03 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . 46.2 tttm -150.23 111.93 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 42' ' ' MET . 15.0 tt0 -37.45 139.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 41' ' ' TRP . 90.2 mt -84.28 154.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' HG22 ' A' ' 48' ' ' ILE . 8.5 pt20 -107.74 131.69 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.59 131.25 42.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -165.19 -175.39 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.62 3.54 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.656 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 19.2 m-70 -115.15 -29.58 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.1 mtp -138.7 109.16 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' HD12 ' A' ' 65' ' ' LEU . 12.2 mttp -104.76 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -147.16 128.94 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.05 91.89 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -157.13 172.45 18.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 35.0 tt0 -53.4 -60.09 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -46.02 -37.3 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.61 -132.86 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.448 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -150.46 135.58 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -111.26 137.9 48.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 55' ' ' LYS . 13.1 tp -116.34 96.36 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.2 m -86.01 135.12 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.807 ' HB ' HG12 ' A' ' 25' ' ' VAL . 81.4 mt -119.08 121.07 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.603 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.8 mm? -96.58 150.1 21.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.656 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 33.95 40.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -33.71 138.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.549 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -103.88 176.18 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -67.62 -26.25 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.4 pp20? -70.67 -43.74 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.476 ' ND1' ' HA ' ' A' ' 70' ' ' ALA . 23.2 m170 -37.7 -38.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.6 t -43.8 117.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.02 -146.64 9.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.4 p -128.35 113.07 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.57 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 55.7 m-85 -85.7 143.3 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.6 m -126.89 114.89 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -93.04 106.19 18.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 89' ' ' ARG . 27.3 tp -90.8 125.97 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.046 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -123.42 103.32 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' THR . 39.1 mt-10 -110.17 143.69 39.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.61 HD21 HD12 ' A' ' 86' ' ' LEU . 24.2 p-10 -149.11 -175.23 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -60.45 -24.53 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD11 ' OG1' ' A' ' 34' ' ' THR . 70.6 mt -79.71 -73.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.51 -131.49 2.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.9 p -163.55 150.53 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.518 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.0 tpt180 -140.84 155.93 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -141.38 135.11 30.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -112.05 178.72 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -154.95 118.43 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 13' ' ' PHE . 1.2 p -127.48 129.77 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -84.79 140.17 31.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -134.25 133.1 40.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.4 m -121.43 135.03 55.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.667 HG12 ' HB2' ' A' ' 21' ' ' ALA . 55.7 t -106.27 132.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.46 132.92 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -106.91 18.96 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 101' ' ' PRO . 0.2 OUTLIER -169.65 143.22 2.17 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.541 0.686 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.41 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 53.6 Cg_endo -69.78 135.49 30.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.66 148.26 36.94 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.8 69.54 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.402 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 127.34 14.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.79 89.58 8.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.34 -154.84 15.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.7 t -131.97 143.48 49.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 111.166 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 80.64 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.719 2.279 . . . . 0.0 112.367 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.5 t -71.41 112.2 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 46.67 78.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.98 27.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.6 p -106.76 137.42 44.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.6 m -159.58 138.49 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -151.58 114.37 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -125.54 110.33 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.67 -82.04 1.62 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -104.4 67.91 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 m -126.01 84.55 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.522 ' H ' HD13 ' A' ' 86' ' ' LEU . . . 58.38 153.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.32 59.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.63 2.22 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mt -101.91 100.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.78 -23.46 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.46 123.38 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.7 t80 -161.32 139.62 7.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 125.34 12.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ASP . 4.6 mm-40 -86.01 172.1 10.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -36.6 113.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -131.29 178.58 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -123.22 168.03 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.12 145.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -81.14 121.77 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -43.68 106.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.78 3.59 25.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.62 174.79 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 m -111.61 113.23 25.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.747 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -108.51 176.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.653 ' H ' HG22 ' A' ' 25' ' ' VAL . 3.5 pt-20 -169.09 105.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' CZ2' ' A' ' 41' ' ' TRP . 15.1 mt -97.06 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -117.34 135.26 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.03 101.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -62.56 130.32 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.973 HG11 HG11 ' A' ' 82' ' ' VAL . 27.8 m -121.03 140.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -105.09 -76.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.67 -130.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.732 ' N ' HD11 ' A' ' 37' ' ' ILE . 23.9 m -132.26 99.5 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.554 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 15.8 mm-40 -67.17 150.97 97.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.3 Cg_endo -69.76 145.83 80.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.375 -0.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.732 HD11 ' N ' ' A' ' 34' ' ' THR . 26.2 mt -126.36 148.24 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 39' ' ' CYS . 31.2 m -83.11 154.12 24.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 38' ' ' THR . 18.0 m -149.17 129.64 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.6 m -137.09 142.6 42.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.504 ' CZ2' ' O ' ' A' ' 27' ' ' LEU . 61.7 m95 -109.53 125.93 53.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtm -137.75 152.25 49.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HZ2' ' N ' ' A' ' 77' ' ' CYS . 25.4 tttp -131.76 134.2 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 53.64 41.92 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 60.53 43.03 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -155.37 105.52 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -38.96 134.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 49' ' ' GLN . 81.1 mt -73.41 156.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' N ' HG22 ' A' ' 48' ' ' ILE . 84.1 mt-30 -108.79 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.44 128.13 35.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -165.77 -175.71 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -70.95 -8.61 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.36 -34.77 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.567 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.05 105.13 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.7 mttm -100.97 171.85 7.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.93 128.3 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -110.99 81.37 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.55 129.74 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.8 m -154.99 172.51 17.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tp10 -56.71 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.3 m-20 -38.12 -41.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.78 -136.69 4.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -145.33 143.27 30.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -120.23 148.85 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 55' ' ' LYS . 15.7 tp -127.88 100.59 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 25' ' ' VAL . 30.7 m -91.12 127.99 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.747 ' HB ' HG12 ' A' ' 25' ' ' VAL . 91.4 mt -110.21 118.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.672 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.6 mm? -89.74 149.42 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 37.66 40.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.91 101.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -73.65 -174.96 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.89 -29.4 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' HIS . 14.1 pt-20 -69.84 -41.6 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' GLU . 19.6 m80 -36.84 -41.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -42.1 126.82 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.76 -140.06 5.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.579 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 19.5 p -137.83 122.51 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -95.0 173.23 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 91' ' ' ALA . 54.5 m -158.27 112.74 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 tp -91.87 116.35 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 tp -102.5 119.88 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.973 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -118.67 102.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 46.1 mt-10 -104.34 162.97 12.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.7 p-10 -165.74 -175.06 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD13 ' H ' ' A' ' 7' ' ' GLY . 84.6 mt -76.89 -75.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.13 -135.98 2.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.406 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 16.6 p -163.4 154.11 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.439 ' HB3' HG23 ' A' ' 82' ' ' VAL . 6.9 tpt85 -136.72 154.88 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -140.56 136.0 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 79' ' ' THR . . . -114.32 179.37 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -156.38 122.03 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -134.05 128.24 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -88.7 140.39 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -126.83 139.53 53.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.3 m -124.96 121.45 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 71' ' ' ARG . 19.3 t -93.05 132.26 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.75 119.22 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -98.61 17.14 19.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -60.16 145.36 85.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.693 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 154.54 67.69 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.07 140.49 98.06 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 160.55 49.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.44 40.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.3 77.8 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.5 159.05 10.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.439 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 109' ' ' SER . 2.1 m -109.01 119.49 48.66 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.588 0.708 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.69 -6.27 18.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' PRO . 97.1 p -36.04 -40.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 165.39 140.91 2.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 152.28 68.89 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -77.52 162.96 26.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.4 t -118.13 151.81 36.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -91.8 115.5 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -48.45 -59.48 3.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.67 -141.02 3.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -63.13 121.83 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.482 ' C ' HD13 ' A' ' 86' ' ' LEU . 5.8 t -125.29 -63.63 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . 176.74 166.61 34.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 135.86 31.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.314 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.533 ' CG ' HG23 ' A' ' 32' ' ' THR . 14.0 pt20 -143.47 151.34 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt -105.14 96.94 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.67 -27.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -120.43 128.62 53.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 13.6 t80 -167.79 139.34 2.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.584 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.77 147.47 62.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ASP . 18.5 mt-10 -107.82 175.49 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -34.51 111.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.5 pt20 -133.7 175.45 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -125.78 163.66 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p -155.16 137.17 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HD3' HG23 ' A' ' 98' ' ' VAL . 25.1 mmt85 -71.67 132.88 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.18 111.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.0 14.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.9 -175.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.7 p -125.51 130.14 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.9 p -113.45 149.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -128.72 94.95 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -93.41 108.62 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -115.65 133.96 55.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.02 94.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -55.68 137.87 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.056 HG11 HG11 ' A' ' 82' ' ' VAL . 28.0 m -127.37 144.8 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.533 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.8 t -135.29 150.46 50.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.16 -98.4 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.0 m -153.34 107.21 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 41.2 mm-40 -69.69 154.9 94.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.77 160.74 87.54 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 -1.791 . . . . 0.0 112.346 0.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.7 mt -137.62 118.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.2 m -72.1 151.5 43.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 82' ' ' VAL . 7.5 m -151.46 122.99 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -131.46 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.528 ' HB3' HD12 ' A' ' 48' ' ' ILE . 52.4 m95 -100.88 124.22 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -129.3 163.09 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -140.68 117.73 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 64.45 43.4 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 63.95 36.48 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -139.85 128.79 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.41 125.07 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 41' ' ' TRP . 73.8 mt -70.87 151.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -108.76 124.05 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.61 131.06 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.5 t -175.2 166.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 68' ' ' LEU . 36.8 tt0 -50.94 -24.25 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -80.39 -40.76 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 mtp -137.66 105.56 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -100.73 170.29 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -147.46 133.24 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -113.92 83.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.2 125.56 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m -155.2 163.16 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 24.4 tt0 -45.96 -60.04 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -40.72 -41.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.95 -141.43 7.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -136.89 140.2 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -120.54 151.87 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.2 tp -128.59 98.83 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -89.91 116.97 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.691 ' HB ' HG12 ' A' ' 25' ' ' VAL . 90.9 mt -101.68 121.86 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.69 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -94.71 154.36 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.19 53.77 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.7 101.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.578 ' O ' HG21 ' A' ' 97' ' ' VAL . 28.6 mtp85 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -65.79 -19.11 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -82.42 -28.99 31.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -56.78 -32.41 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.597 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.2 t -46.87 136.68 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.52 -177.32 23.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.5 t -97.63 142.7 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.355 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.89 177.66 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.2 m -152.4 108.67 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -90.95 113.49 25.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -98.88 138.8 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.056 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.7 105.06 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -110.66 149.78 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 7.9 p-10 -154.64 179.01 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -54.44 -36.95 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 6' ' ' SER . 38.0 mt -68.52 -75.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 -132.39 2.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.434 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.2 p -163.67 158.39 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB3' HG23 ' A' ' 82' ' ' VAL . 3.4 tpm_? -148.51 163.58 36.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -154.45 125.91 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -110.04 179.65 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.473 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -150.73 150.96 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.04 123.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.96 142.01 38.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.8 tp -136.78 148.11 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -136.43 147.41 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 71' ' ' ARG . 50.0 t -114.9 131.11 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.468 HG23 ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.9 118.12 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -93.62 16.08 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -49.64 143.29 11.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.54 0.686 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 166.84 26.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -76.05 155.86 84.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.62 7.37 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 116.31 4.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.8 142.66 32.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.05 -74.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.3 t -45.51 142.37 3.36 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.549 0.69 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 154.61 67.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 t -61.92 -37.55 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -148.16 86.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 158.6 56.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.736 2.291 . . . . 0.0 112.287 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.3 m -133.64 126.4 30.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.5 p -92.52 131.12 37.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -154.25 169.1 24.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -129.35 151.61 49.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.92 120.93 1.06 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.493 ' O ' HD22 ' A' ' 86' ' ' LEU . 89.2 p -94.33 47.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -98.64 -36.37 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.07 168.22 34.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 151.72 69.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' HG3' HG23 ' A' ' 32' ' ' THR . 4.0 pt20 -153.43 141.12 19.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.8 mt -98.64 99.28 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.607 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.37 -23.63 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -123.79 123.99 41.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -159.05 139.86 9.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 125.83 12.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.29 173.82 10.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -39.24 119.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -141.1 170.58 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.39 173.92 6.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 p -162.97 132.22 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.1 122.94 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -45.07 112.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.79 -4.56 30.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.14 -176.08 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 m -122.11 112.29 18.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.753 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -109.12 167.72 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 1.4 pm0 -159.45 120.63 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -109.85 116.97 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -122.1 123.68 42.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.58 102.66 1.73 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HB3' HD11 ' A' ' 11' ' ' ILE . 27.2 tttp -61.84 133.32 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 82' ' ' VAL . 27.5 m -123.69 143.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -111.64 -76.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.58 -112.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.794 ' H ' HD11 ' A' ' 37' ' ' ILE . 53.9 m -157.81 109.77 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.659 0.266 . . . . 0.0 111.192 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.54 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.5 mm-40 -68.19 153.42 95.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.76 153.82 93.08 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.339 -0.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.794 HD11 ' H ' ' A' ' 34' ' ' THR . 48.6 mt -138.15 128.35 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 m -76.49 146.83 38.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 82' ' ' VAL . 40.3 m -141.56 123.73 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.5 m -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -112.99 124.86 53.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -131.01 165.89 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -146.94 115.87 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 63.89 46.43 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? 61.47 41.52 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -153.3 112.09 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.75 129.77 30.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.4 mt -73.36 150.6 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -107.02 128.47 54.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.45 133.67 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -175.21 172.62 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 68' ' ' LEU . 27.6 tt0 -56.39 -27.8 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -40.95 35.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 62.7 mtp -135.62 104.25 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -97.94 161.58 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.4 t -140.02 129.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -118.3 85.83 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -72.01 134.56 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -158.68 167.61 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.4 tp10 -47.92 -63.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -39.23 -41.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.85 -145.78 10.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 11.1 t -127.8 142.64 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -122.69 147.52 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.6 tp -133.46 104.41 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 25' ' ' VAL . 9.7 m -93.95 138.0 32.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.753 ' HB ' HG12 ' A' ' 25' ' ' VAL . 80.8 mt -117.6 116.69 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.696 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -92.02 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.5 46.43 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.19 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.728 ' O ' HG21 ' A' ' 97' ' ' VAL . 41.5 mtp85 -85.77 168.02 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -62.8 -27.3 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' HIS . 23.7 pt-20 -73.48 -40.82 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' GLU . 10.3 m80 -39.36 -41.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.496 ' HB2' HG23 ' A' ' 97' ' ' VAL . 25.3 t -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.18 -137.14 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.2 p -138.09 131.93 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -109.23 163.73 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -146.7 123.83 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 tp -101.27 105.3 16.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -94.2 120.08 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 31' ' ' VAL . 3.1 m -117.83 115.17 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -117.27 146.23 43.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 25.1 p-10 -149.15 -176.66 5.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.96 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 5' ' ' SER . 97.7 mt -75.5 -75.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.8 -130.77 2.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.4 p -163.25 168.65 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 16.7 tpt180 -156.24 158.82 38.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.36 129.56 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.3 -178.95 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -155.27 131.5 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -142.19 131.54 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -94.45 141.75 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -133.3 150.48 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -137.01 135.19 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.728 HG21 ' O ' ' A' ' 71' ' ' ARG . 33.0 t -101.67 136.08 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.0 126.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -100.28 17.81 20.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -65.53 143.22 98.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.45 45.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -89.41 154.21 48.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.734 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 130.99 20.25 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 111.28 2.76 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.78 157.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -169.0 104.32 0.21 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.9 p -118.7 128.19 26.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.86 38.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 73.9 p -81.85 153.36 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.71 -72.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 91.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.747 2.298 . . . . 0.0 112.318 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.5 p -76.2 147.0 38.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.8 m -49.66 -45.61 48.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 m -119.34 142.88 47.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -150.59 168.07 25.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.819 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.01 -122.59 7.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.683 ' HB3' HD21 ' A' ' 86' ' ' LEU . 16.1 m -122.6 94.08 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.866 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -105.75 -32.64 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.84 170.43 12.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.4 Cg_endo -69.8 136.16 32.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.328 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.0 pt20 -148.12 146.57 28.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 91' ' ' ALA . 18.2 mt -98.16 95.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.31 -26.31 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -125.04 130.38 52.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.0 t80 -165.31 139.56 3.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 137.4 35.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.46 -176.9 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -43.89 113.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.453 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 13.7 pt20 -133.08 172.26 12.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -117.91 169.35 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -159.86 131.76 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 12.4 mmt85 -73.89 117.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -37.72 113.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.09 12.84 30.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -100.54 -178.24 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.2 p -115.8 119.76 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.774 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -115.69 150.3 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -134.68 106.32 6.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 HD23 ' A' ' 65' ' ' LEU . 37.9 mt -101.36 96.25 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.07 131.11 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.31 96.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -56.2 134.75 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.081 HG11 HG11 ' A' ' 82' ' ' VAL . 36.0 m -126.83 145.62 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -137.49 145.67 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.4 -99.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 72.4 m -156.72 105.45 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 111.168 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.545 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 30.9 mm-40 -65.96 154.34 89.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.718 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.74 160.9 87.17 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.331 -0.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.8 mt -138.78 126.28 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 m -79.72 146.38 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.662 ' SG ' HG12 ' A' ' 82' ' ' VAL . 58.1 m -141.07 128.77 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 m -129.31 134.43 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -107.42 109.29 20.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -117.94 172.34 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' NZ ' ' CZ ' ' A' ' 78' ' ' TYR . 18.2 tttp -154.51 121.1 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 60.24 45.24 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 60.71 42.68 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -156.16 110.72 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -47.84 130.79 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.3 mt -75.05 141.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -97.09 126.12 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -60.71 136.92 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -175.4 162.33 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.653 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.1 pt-20 -48.83 -28.25 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.66 -39.41 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtp -132.57 97.55 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 31.5 mtmt -93.04 -179.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -151.85 130.53 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.03 85.28 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -84.01 145.94 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -173.09 -176.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -50.96 -48.35 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -53.36 -38.28 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 153.99 -127.55 2.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -142.17 136.56 30.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.428 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -120.83 153.63 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 55' ' ' LYS . 15.4 tp -131.28 97.92 4.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -87.09 119.09 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.774 ' HB ' HG12 ' A' ' 25' ' ' VAL . 99.2 mt -102.67 113.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 52' ' ' GLU . 2.5 mm? -87.99 150.55 23.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 40.51 51.8 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.29 110.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.769 ' O ' HG21 ' A' ' 97' ' ' VAL . 8.2 mmm180 -88.24 156.36 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -58.08 -25.57 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.1 pt-20 -80.06 -40.72 27.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 18.7 m80 -40.67 -35.98 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.566 ' HB2' HG23 ' A' ' 97' ' ' VAL . 2.4 t -42.54 124.97 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.62 -173.44 42.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.3 t -103.27 129.25 50.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CZ ' ' NZ ' ' A' ' 43' ' ' LYS . 9.6 m-85 -103.5 167.85 9.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 91' ' ' ALA . 51.7 m -150.03 128.7 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -106.45 107.86 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 89' ' ' ARG . 19.9 tp -99.26 117.68 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.081 HG11 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -115.95 109.79 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -107.51 148.73 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 25.0 t30 -155.47 154.12 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.496 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -32.59 -44.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 5' ' ' SER . 7.2 mp -67.02 -75.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.94 -158.64 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.2 p -143.97 166.9 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 81' ' ' LEU . 10.8 tpt180 -150.56 156.73 41.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.55 131.45 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' THR . . . -110.42 -176.14 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -157.69 137.0 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.21 137.59 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -101.19 144.79 29.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.3 tp -135.26 152.5 51.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -138.43 135.62 35.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 71' ' ' ARG . 24.9 t -103.03 133.28 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.33 131.92 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -103.32 17.05 24.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -133.17 153.89 80.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 154.9 67.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 152.96 37.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 154.36 67.58 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 143.13 50.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.9 161.86 26.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.07 96.6 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.2 p -104.93 102.71 37.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 111.14 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 132.6 23.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 m -110.26 123.86 50.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 140.72 91.22 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.32 53.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 113' ' ' SER . 93.3 p -76.14 136.47 39.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 112' ' ' SER . 57.7 m 37.18 42.53 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -140.34 134.3 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -120.54 166.12 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.1 -57.55 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.52 ' HB3' HD11 ' A' ' 86' ' ' LEU . 50.8 m -116.44 81.94 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.374 . . . . 0.0 110.82 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -135.02 77.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 149.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 156.45 63.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.484 ' HG2' HG23 ' A' ' 32' ' ' THR . 13.1 pt20 -147.83 151.96 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.3 98.21 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.68 -22.62 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.17 126.44 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.0 t80 -164.91 139.24 4.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 123.31 9.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ASP . 34.8 mp0 -83.46 173.89 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.85 116.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.818 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.46 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -122.93 169.01 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.6 p -161.78 136.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -72.42 138.52 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.96 110.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.09 -20.1 17.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.16 -175.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -127.0 131.61 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.914 HG12 ' HB ' ' A' ' 67' ' ' ILE . 4.7 p -117.01 154.32 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -134.62 100.65 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 HD23 ' A' ' 65' ' ' LEU . 41.8 mt -100.33 108.98 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -118.0 126.87 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.77 98.23 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HB3' HD11 ' A' ' 11' ' ' ILE . 27.5 tttt -62.97 136.77 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 82' ' ' VAL . 35.9 m -127.37 143.17 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -106.09 -76.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.2 -136.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.6 m -124.94 99.1 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -62.95 151.76 85.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.74 153.85 93.03 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.335 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 mt -131.88 131.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 39' ' ' CYS . 47.0 m -74.39 154.03 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.711 ' SG ' HG12 ' A' ' 82' ' ' VAL . 85.9 m -145.73 134.94 22.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 m -141.51 140.55 33.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.656 ' HB3' HD12 ' A' ' 48' ' ' ILE . 78.9 m95 -109.0 129.46 55.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 mtm -137.68 156.38 48.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -136.83 126.31 25.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 55.78 50.63 13.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 55.75 41.55 30.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -152.16 105.01 3.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -43.8 136.13 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 41' ' ' TRP . 92.7 mt -77.12 151.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -112.14 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.29 137.01 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.4 p -173.44 173.55 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.49 -4.7 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 71' ' ' ARG . 7.6 m-70 -105.23 -35.33 7.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 mtp -135.49 110.47 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 65' ' ' LEU . 28.9 mmtt -94.94 -176.63 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 55' ' ' LYS . 70.8 t -161.54 122.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -110.64 78.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.47 125.52 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -155.78 -177.76 6.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.6 tt0 -58.1 -69.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' GLU . 26.1 m120 -36.75 -36.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.06 -132.5 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.0 t -152.12 144.57 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.878 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -120.43 154.85 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.561 HD23 HD12 ' A' ' 27' ' ' LEU . 14.7 tp -132.05 94.09 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -85.63 114.53 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.914 ' HB ' HG12 ' A' ' 25' ' ' VAL . 43.4 mt -97.91 120.79 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.66 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.7 mm? -97.39 147.48 24.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.25 53.33 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.16 108.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.725 ' O ' HG21 ' A' ' 97' ' ' VAL . 24.3 mtp180 -92.14 151.26 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HA ' HG11 ' A' ' 97' ' ' VAL . 5.1 tt0 -53.38 -26.58 19.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 pp20? -72.65 -38.41 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 27.6 m170 -45.36 -31.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 39.8 t -50.92 114.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.93 -147.96 9.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.55 126.7 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -102.61 168.16 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 91' ' ' ALA . 34.8 m -150.99 118.86 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -97.06 112.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 89' ' ' ARG . 18.6 tp -97.57 120.63 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -116.38 99.47 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 37.7 mt-10 -98.06 152.91 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.47 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 5.7 p-10 -155.42 -175.05 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -44.41 84.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 5' ' ' SER . 7.7 mt -67.81 -72.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -148.29 -135.45 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.465 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 50.9 p -161.8 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.502 ' HB3' HG23 ' A' ' 82' ' ' VAL . 9.8 tpt180 -132.72 160.72 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -143.62 138.13 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 79' ' ' THR . . . -117.92 -178.35 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -155.53 133.01 11.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.85 119.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -80.35 134.61 36.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -123.21 152.03 41.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.3 m -137.37 131.24 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.725 HG21 ' O ' ' A' ' 71' ' ' ARG . 58.7 t -101.15 132.85 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.29 120.98 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -94.8 14.45 21.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -71.7 144.82 88.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 159.59 52.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.81 145.33 39.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.646 0.736 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 148.11 64.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.294 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 92.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -43.77 99.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 107' ' ' THR . . . -152.99 149.73 21.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.513 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' GLY . 15.3 t -36.08 138.03 0.46 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.29 50.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.613 2.208 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.0 m -57.79 93.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.62 -155.89 29.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 131.13 20.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.2 t -69.87 -52.61 23.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 m -59.73 161.24 6.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -103.66 90.88 3.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -63.87 117.1 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.01 -101.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -55.34 118.09 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 2.9 m -85.5 139.98 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.84 176.11 5.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.438 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 141.22 44.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.7 pt20 -151.05 144.46 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.27 96.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.599 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -79.07 -25.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -126.0 122.17 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.3 t80 -156.97 139.4 10.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 124.38 11.04 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.28 175.52 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.11 126.04 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -145.54 175.01 10.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -123.12 170.53 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p -159.92 150.11 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.6 mmt85 -87.74 116.46 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -36.71 109.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 110.7 1.81 28.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.31 178.62 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.4 p -114.67 117.6 31.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.589 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -110.87 154.15 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -134.93 106.2 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.0 mt -107.94 108.42 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 28.2 t80 -121.07 137.11 54.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.9 90.58 0.5 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HB3' HD11 ' A' ' 11' ' ' ILE . 15.2 tttm -51.59 134.27 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.787 HG11 HG11 ' A' ' 82' ' ' VAL . 29.8 m -126.28 145.11 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -110.69 -76.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.26 -130.24 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.559 ' N ' HD11 ' A' ' 37' ' ' ILE . 98.1 m -140.62 105.46 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.144 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 32.0 mm-40 -65.68 154.03 89.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.8 Cg_endo -69.73 155.81 93.01 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.381 -0.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.559 HD11 ' N ' ' A' ' 34' ' ' THR . 24.9 mt -140.32 130.04 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.9 m -70.87 150.21 46.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -145.81 126.23 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.0 m -135.48 138.29 43.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.751 ' HB3' HD12 ' A' ' 48' ' ' ILE . 58.2 m95 -105.87 120.11 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.4 mtm -134.2 150.46 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -126.6 122.26 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE1' ' SG ' ' A' ' 77' ' ' CYS . 10.5 m-85 57.43 47.14 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 61.98 29.99 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.26 112.15 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -54.27 122.01 9.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' A' ' 41' ' ' TRP . 76.2 mt -66.04 146.9 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -107.35 123.75 48.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.57 134.59 57.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -173.06 168.43 4.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.18 -15.79 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 22.0 m-70 -96.29 -34.39 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.0 mtp -133.08 96.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 65' ' ' LEU . 42.4 mttm -95.86 167.7 11.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.7 t -144.79 127.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.27 84.87 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -83.69 128.99 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.39 -175.82 5.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CD ' ' HG3' ' A' ' 35' ' ' GLN . 4.8 tp10 -53.15 -49.03 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -52.47 -39.09 60.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.475 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 157.22 -127.15 1.87 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -145.83 133.21 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.39 148.27 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 55' ' ' LYS . 17.8 tp -128.9 97.81 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -88.48 115.89 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.589 ' HB ' HG12 ' A' ' 25' ' ' VAL . 67.3 mt -99.16 108.76 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.697 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -85.45 146.64 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 44.82 49.72 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . -35.27 122.37 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 97' ' ' VAL . 46.2 mtp180 -102.61 164.52 11.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -62.63 -17.09 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 2.6 pt-20 -86.06 -31.63 21.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 16.7 m170 -57.12 -20.47 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.62 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.4 t -57.02 134.03 55.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.24 172.0 15.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.562 ' SG ' ' CE1' ' A' ' 44' ' ' PHE . 20.1 p -84.95 141.21 30.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -108.31 177.61 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 89.9 m -155.0 116.81 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -99.88 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -92.87 123.31 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.787 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -123.07 99.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -103.94 152.81 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' LEU . 8.3 p-10 -154.39 -175.13 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -31.77 70.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.452 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 80.0 mt -77.51 -75.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -144.3 -135.63 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 p -163.4 155.18 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.594 ' HB3' HG23 ' A' ' 82' ' ' VAL . 26.4 tpt180 -137.53 156.24 48.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -144.73 130.57 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -114.08 -177.55 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -157.27 130.49 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.44 118.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -77.48 142.26 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -137.0 141.35 42.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.8 m -126.49 132.22 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 75' ' ' CYS . 38.6 t -99.49 132.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.45 123.88 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -94.51 13.52 23.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -149.89 148.97 26.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.561 0.695 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 179.7 3.49 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.751 2.301 . . . . 0.0 112.324 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.12 141.6 31.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 149.46 67.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.407 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.8 7.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.43 -31.34 14.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -102.39 174.7 24.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.5 m -53.06 127.72 46.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.586 0.708 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -48.52 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.2 p -70.68 143.15 51.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.07 68.16 0.39 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.16 4.92 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.4 t -101.41 129.68 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.8 t -128.65 109.08 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -42.79 133.9 3.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -109.78 85.38 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.38 -122.89 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -70.59 98.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -99.86 137.55 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.28 173.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.8 Cg_endo -69.77 140.24 42.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG3' ' CG2' ' A' ' 32' ' ' THR . 18.5 pt20 -147.68 149.9 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.44 98.05 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.64 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.32 -24.49 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -124.27 129.84 51.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.2 t80 -165.26 139.68 4.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.58 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.76 138.27 37.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -93.11 174.16 7.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.28 115.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -134.3 174.74 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -124.06 163.34 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.07 139.01 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -71.99 133.17 45.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -52.22 111.44 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.69 -20.57 15.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.82 -176.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.7 p -124.75 126.4 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.596 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -111.8 154.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -133.75 100.76 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -99.67 106.44 18.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -114.93 132.17 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.66 102.43 0.95 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HB3' HD11 ' A' ' 11' ' ' ILE . 14.9 tttm -61.23 127.17 30.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.992 HG11 HG11 ' A' ' 82' ' ' VAL . 32.8 m -118.97 142.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.434 ' CG2' ' HG3' ' A' ' 9' ' ' GLN . 7.7 t -131.07 154.9 47.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.71 -99.05 0.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -154.2 111.03 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.686 0.279 . . . . 0.0 111.126 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 33.8 mm-40 -72.77 155.23 90.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.71 161.18 86.59 Favored 'Cis proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.381 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -136.97 125.65 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.441 ' O ' HG12 ' A' ' 82' ' ' VAL . 14.6 m -72.86 151.37 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.438 ' SG ' HG12 ' A' ' 82' ' ' VAL . 55.8 m -149.9 117.36 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -129.34 138.66 51.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.704 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.6 m95 -106.25 118.17 35.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mtm -128.75 137.62 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CE ' ' HA3' ' A' ' 76' ' ' GLY . 21.2 tttt -114.04 122.05 45.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 58.02 47.21 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 61.32 29.91 18.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -128.61 114.96 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -57.5 121.68 10.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.704 HD12 ' HB3' ' A' ' 41' ' ' TRP . 75.2 mt -71.68 143.15 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -106.44 119.81 40.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.86 133.91 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.49 178.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -63.72 -15.81 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -90.86 -37.94 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.98 106.61 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -101.95 167.63 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -144.61 132.19 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -114.2 82.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.65 118.47 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.7 m -136.43 -179.85 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -65.46 -60.49 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -45.92 -38.59 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.548 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 172.08 -142.21 6.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -139.34 139.36 37.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -112.55 153.42 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD22 ' CE3' ' A' ' 41' ' ' TRP . 17.4 tp -132.79 95.74 3.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.0 m -86.23 127.34 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.596 ' HB ' HG12 ' A' ' 25' ' ' VAL . 78.9 mt -110.56 114.7 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.8 mm? -89.23 149.64 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 43.18 53.68 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.63 93.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ALA . 32.7 mtp85 -77.51 152.69 34.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -53.1 -17.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -80.44 -33.49 36.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.454 ' CE1' HG23 ' A' ' 67' ' ' ILE . 16.9 m170 -51.38 -32.51 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.84 125.03 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' HA3' ' CE ' ' A' ' 43' ' ' LYS . . . 152.24 178.99 27.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.2 p -96.59 135.24 38.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.7 m-85 -102.61 175.46 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.4 m -153.35 119.09 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -97.67 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 tp -97.0 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.992 HG11 HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -122.84 104.04 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.89 153.26 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 11.5 p-10 -162.2 174.19 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -45.57 -49.79 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.11 -76.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.99 -143.33 3.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 p -153.58 169.75 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HB3' HG23 ' A' ' 82' ' ' VAL . 22.3 tpt180 -155.97 159.89 39.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.51 138.16 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.0 -178.56 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -154.25 122.36 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.38 119.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -76.61 146.58 38.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -143.27 151.04 40.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.4 m -142.22 144.39 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 71' ' ' ARG . 63.9 t -110.56 131.1 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.64 118.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -89.73 10.64 22.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -133.43 152.62 79.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.541 0.686 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 149.52 67.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 11.6 t70 -127.32 140.42 37.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 54.1 Cg_endo -69.72 167.66 23.73 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.22 . . . . 0.0 112.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 120.74 7.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.37 95.73 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 169.8 -149.46 13.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.9 p -106.94 126.21 30.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.552 0.692 . . . . 0.0 111.156 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.04 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.652 2.234 . . . . 0.0 112.391 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.1 p -168.58 145.66 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.24 -140.23 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.19 63.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.7 t -105.87 106.98 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -73.0 109.78 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -52.26 151.69 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -119.43 121.86 40.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.87 -147.45 19.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -74.11 103.76 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -103.04 138.28 40.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.13 175.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.3 Cg_endo -69.75 133.05 24.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.314 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' CG ' HG23 ' A' ' 32' ' ' THR . 13.0 pt20 -141.99 151.36 42.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -104.14 96.88 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.14 -25.36 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -168.96 139.88 1.96 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 131.92 22.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.4 -175.66 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -46.27 114.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.57 171.41 14.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -119.48 169.35 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 p -160.41 132.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -70.4 125.5 26.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -45.32 111.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 117.14 -32.69 5.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.12 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.0 p -128.05 129.49 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.76 158.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -134.97 85.63 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 65' ' ' LEU . 40.1 mt -84.44 106.67 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -118.15 129.03 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.48 96.96 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.463 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HB3' HD11 ' A' ' 11' ' ' ILE . 14.6 tttm -56.57 128.01 34.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.041 HG11 HG11 ' A' ' 82' ' ' VAL . 33.0 m -121.09 141.77 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.41 HG23 ' CG ' ' A' ' 9' ' ' GLN . 3.2 t -131.33 156.78 44.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.79 -100.57 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -151.63 105.69 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.712 0.291 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.21 154.66 94.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.8 160.83 87.47 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.382 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.87 129.12 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.9 m -78.21 149.4 33.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' SG ' HG12 ' A' ' 82' ' ' VAL . 59.9 m -146.63 107.44 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -112.52 139.55 48.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.474 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.7 m95 -108.66 120.85 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 mtm -130.35 171.97 12.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -156.15 123.74 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 64.79 38.78 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 63.1 41.94 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.72 125.86 9.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.64 132.82 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 41' ' ' TRP . 89.5 mt -75.08 144.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -103.15 115.0 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.57 136.06 27.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' MET . 3.5 t -173.79 157.91 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.08 -20.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' SER . 5.6 m170 -87.08 -38.7 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 24.6 mtp -133.17 102.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -101.82 169.83 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.6 t -142.67 138.87 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -120.73 82.48 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.65 131.56 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -157.1 175.39 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.23 -63.82 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -38.97 -42.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.602 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 168.65 -134.4 3.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 25.6 t -141.04 148.23 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -126.91 147.84 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD23 HD12 ' A' ' 27' ' ' LEU . 14.3 tp -128.12 97.47 4.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -86.55 119.41 26.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -103.31 107.07 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.9 mm? -84.51 146.72 27.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.36 53.6 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.47 111.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.711 ' O ' HG21 ' A' ' 97' ' ' VAL . 9.0 mmm180 -91.64 151.68 20.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -55.35 -29.16 57.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 74' ' ' HIS . 10.0 pt-20 -73.77 -42.14 61.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' GLU . 18.6 m80 -38.29 -36.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.8 t -42.14 115.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.6 170.67 33.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -88.8 130.0 35.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -101.69 175.13 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.7 m -152.39 126.11 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -104.97 105.47 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.62 121.15 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.041 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -118.67 109.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -108.47 140.15 42.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.3 t30 -148.84 157.46 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.475 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 17.0 tptt -34.65 -46.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.51 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.0 -131.43 2.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.0 p -164.53 176.95 8.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.6 tpt85 -165.77 159.87 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -149.99 126.27 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 79' ' ' THR . . . -108.04 -175.54 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -156.87 142.74 17.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.54 141.42 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -100.23 128.54 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.0 tp -123.66 156.28 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.4 m -144.5 139.53 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.711 HG21 ' O ' ' A' ' 71' ' ' ARG . 61.5 t -108.42 135.99 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.46 123.17 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -100.78 14.87 30.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.99 152.53 16.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 146.8 61.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.642 2.228 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t70 -80.32 140.86 52.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 54.2 Cg_endo -69.74 154.52 67.73 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.375 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 111.41 2.81 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.29 173.48 6.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 157.15 -105.21 0.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.2 p -145.56 151.11 45.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.711 . . . . 0.0 111.112 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -30.58 22.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.2 p -139.42 139.55 37.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -173.97 73.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 97.03 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 51.9 m -48.89 134.55 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.6 m -102.26 93.64 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 42.71 43.03 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -129.14 153.66 47.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.48 74.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -83.47 86.79 7.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -92.51 -59.47 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' N ' HD13 ' A' ' 86' ' ' LEU . . . 166.35 174.77 36.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.461 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.8 Cg_endo -69.74 135.97 31.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.316 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -145.76 152.87 40.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 91' ' ' ALA . 22.9 mt -106.66 96.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.55 -26.03 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.08 129.12 50.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 10.3 t80 -164.3 139.65 4.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.77 135.06 29.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -91.47 -177.68 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -46.91 114.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -137.75 167.94 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -113.45 169.98 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -163.41 129.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.73 131.83 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -50.35 111.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 114.62 -24.69 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -62.46 -177.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.5 p -123.66 124.91 43.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.943 HG12 ' HB ' ' A' ' 67' ' ' ILE . 4.0 p -113.05 153.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.45 89.9 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -88.08 104.48 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -114.4 124.54 52.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -110.59 93.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HB3' HD11 ' A' ' 11' ' ' ILE . 35.2 tttt -52.1 125.11 14.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.982 HG11 HG11 ' A' ' 82' ' ' VAL . 33.7 m -118.83 141.57 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 5.9 t -130.68 153.17 49.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.13 -110.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -144.91 105.65 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.7 mm-40 -67.98 155.01 92.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.7 160.9 87.08 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.332 -0.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -139.75 136.68 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.0 m -82.52 153.1 25.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' A' ' 82' ' ' VAL . 49.8 m -154.76 105.15 2.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.7 m -117.23 137.92 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.618 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.0 m95 -101.09 126.06 47.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' THR . 16.6 mtm -135.3 156.92 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -131.75 116.12 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 60.11 47.25 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 63.19 33.19 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -134.21 112.8 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.99 125.65 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 41' ' ' TRP . 87.6 mt -72.81 141.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -103.65 113.72 27.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -45.76 137.19 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -170.62 -175.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.99 -16.87 62.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 19.8 m-70 -92.7 -36.55 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.598 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.3 mtp -132.52 107.04 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 65' ' ' LEU . 27.5 mtmt -103.05 176.82 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -147.7 137.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -124.02 85.97 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.72 131.42 46.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -152.62 170.2 20.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.63 -59.39 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -45.02 -37.07 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.6 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 167.54 -137.35 4.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -139.72 136.14 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -112.65 136.36 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 55' ' ' LYS . 10.0 tp -116.96 97.33 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -83.0 126.51 32.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.943 ' HB ' HG12 ' A' ' 25' ' ' VAL . 85.0 mt -110.95 107.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.7 mm? -88.54 146.43 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 49.59 53.27 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -33.68 94.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.504 ' H ' ' CE1' ' A' ' 74' ' ' HIS . 49.4 ttt85 -83.09 152.79 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -45.75 -43.75 13.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.5 pt-20 -54.04 -44.65 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.504 ' CE1' ' H ' ' A' ' 71' ' ' ARG . 78.0 m80 -44.12 -36.45 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.2 t -45.18 123.2 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 148.3 175.79 21.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.0 140.7 29.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.08 -176.45 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 91' ' ' ALA . 57.9 m -158.95 119.01 3.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -98.42 103.31 15.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 tp -89.23 137.08 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.982 HG11 HG11 ' A' ' 31' ' ' VAL . 1.2 m -136.86 105.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -112.19 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 7.7 p-10 -148.98 -179.82 7.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -53.5 -39.06 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 7' ' ' GLY . 93.7 mt -67.96 -74.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.5 -136.38 2.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 p -158.71 164.11 36.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.489 ' HB3' HG23 ' A' ' 82' ' ' VAL . 32.2 tpt85 -152.83 157.36 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.12 130.58 17.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.613 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -107.17 -176.71 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -155.74 133.63 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.78 125.01 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -86.13 135.26 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -129.81 145.14 51.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -132.73 131.96 41.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 21' ' ' ALA . 44.8 t -100.8 134.27 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.65 117.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -92.5 13.89 18.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.83 152.79 37.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 171.43 14.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -56.79 144.02 67.82 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.53 69.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.38 63.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.42 130.62 17.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.08 -177.05 49.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.582 HG22 ' H ' ' A' ' 109' ' ' SER . 44.7 m -118.07 123.48 29.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 0.0 111.156 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.9 35.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.582 ' H ' HG22 ' A' ' 107' ' ' THR . 35.1 p -95.96 134.42 38.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -85.44 170.05 44.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 141.4 45.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.6 p -83.05 146.61 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 m -42.35 137.33 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 m -85.69 150.96 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -108.2 112.64 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.31 -86.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 p -74.79 121.74 22.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.788 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -112.45 123.64 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.34 173.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.3 Cg_endo -69.81 136.49 33.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -145.89 148.48 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 mt -99.12 97.18 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.667 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -79.5 -31.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.479 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 mp0 -122.86 140.16 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.8 t80 -170.34 139.7 1.48 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 130.63 19.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -90.09 179.74 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -43.74 118.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -139.44 178.67 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -124.04 168.67 12.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.85 136.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.55 131.14 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.31 112.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 113.3 -24.36 12.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -66.26 -175.04 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.5 p -127.6 122.88 34.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.73 160.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.95 89.16 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.759 HD12 HD23 ' A' ' 65' ' ' LEU . 39.2 mt -87.98 95.85 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -107.08 129.08 54.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.97 96.49 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' A' ' 11' ' ' ILE . 24.8 tttp -56.08 138.97 48.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.863 HG11 HG11 ' A' ' 82' ' ' VAL . 27.8 m -132.52 151.42 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 4.3 t -141.05 150.39 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.71 -109.84 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -143.51 105.82 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 40.2 mm-40 -68.61 154.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.73 160.84 87.26 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.328 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.12 131.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -81.05 152.93 27.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.518 ' SG ' HG12 ' A' ' 82' ' ' VAL . 9.9 m -154.04 119.75 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -127.02 136.09 51.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -104.5 114.9 29.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -121.21 150.0 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 77' ' ' CYS . 24.2 tttt -129.78 122.32 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 63.75 44.34 5.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 60.87 39.06 17.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -150.92 120.89 7.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -52.12 126.51 18.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.61 144.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -96.01 121.8 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.07 122.6 15.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -161.18 164.5 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.28 -20.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -85.61 -39.38 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.2 mtp -134.62 100.96 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.6 168.62 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.0 t -145.1 128.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -120.32 85.58 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -81.41 141.2 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.83 -175.94 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 45.3 tt0 -53.04 -45.62 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.48 -38.55 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 154.15 -126.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t -146.88 130.85 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 110.829 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -116.63 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.759 HD23 HD12 ' A' ' 27' ' ' LEU . 14.6 tp -113.09 96.84 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -86.97 119.31 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.24 112.43 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.744 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -90.46 146.44 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.93 49.26 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.168 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.26 117.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.744 ' O ' HG21 ' A' ' 97' ' ' VAL . 41.1 mtp180 -95.53 171.28 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -66.72 -28.13 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.472 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.2 pp20? -72.96 -45.14 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.472 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 25.5 m170 -36.75 -40.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.6 t -46.48 118.87 2.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.41 -134.47 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 26.5 p -137.26 145.25 43.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 4.2 m-85 -119.29 170.82 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 91' ' ' ALA . 91.6 m -151.15 122.89 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -100.09 110.95 23.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 tp -102.12 118.63 37.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.863 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -118.08 108.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -110.09 144.14 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.5 t30 -149.62 156.61 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -38.37 -31.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.57 -74.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.19 -132.74 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.502 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.4 p -168.62 164.01 12.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.4 tpt180 -151.34 158.77 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -147.52 133.58 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 79' ' ' THR . . . -119.9 -175.74 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -156.93 141.96 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -145.61 130.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.16 128.4 37.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.6 tp -120.12 152.7 37.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.3 m -137.57 139.22 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.744 HG21 ' O ' ' A' ' 71' ' ' ARG . 48.3 t -108.53 134.36 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.49 120.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -92.58 15.04 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -71.68 155.57 92.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 175.15 8.44 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.644 2.23 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 1.4 t70 -103.0 141.15 21.88 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.55 0.691 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 53.7 Cg_endo -69.76 145.25 56.56 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 91.49 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.397 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.47 130.71 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.2 -150.95 12.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.549 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.3 p -87.26 121.88 71.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.53 0.681 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.95 13.06 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 t -64.61 161.11 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.16 -94.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.9 Cg_endo -69.8 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 111' ' ' PRO . 82.1 p -34.93 128.44 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 m -50.66 172.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -84.16 139.07 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 m -55.67 -47.49 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.5 -65.36 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.51 ' HB3' HD21 ' A' ' 86' ' ' LEU . 4.6 m -79.13 75.83 5.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -127.19 73.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.817 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.623 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 58.43 155.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' CG ' ' HA ' ' A' ' 88' ' ' SER . 53.5 Cg_endo -69.74 147.11 62.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.315 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -155.01 127.95 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mt -89.12 98.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.767 HD12 ' CG2' ' A' ' 32' ' ' THR . 0.3 OUTLIER -81.51 -19.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -124.04 119.28 29.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 5.2 t80 -158.07 140.38 10.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.79 132.08 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 44.5 mt-10 -88.52 173.05 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 2.6 p-10 -37.24 111.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -130.6 171.33 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -115.66 169.47 9.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -159.43 139.2 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.1 mmt180 -80.03 113.76 18.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -35.11 110.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.64 6.62 30.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -95.23 -175.28 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 p -122.45 118.55 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -109.38 154.98 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.67 99.23 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 mt -103.0 101.69 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -120.36 141.46 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.81 109.58 1.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -67.56 126.09 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.762 HG11 HG11 ' A' ' 82' ' ' VAL . 17.8 m -106.81 145.49 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.767 ' CG2' HD12 ' A' ' 11' ' ' ILE . 2.1 p -105.83 -32.79 8.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.756 ' C ' HD11 ' A' ' 37' ' ' ILE . . . -38.96 161.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.9 m -63.91 134.17 54.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 25.8 mm-40 -86.97 156.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.3 Cg_endo -69.75 162.65 83.67 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.3 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.756 HD11 ' C ' ' A' ' 33' ' ' GLY . 51.0 mt -133.42 121.95 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.53 ' O ' HG12 ' A' ' 82' ' ' VAL . 21.1 m -64.16 157.5 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' SG ' HG12 ' A' ' 82' ' ' VAL . 72.8 m -150.01 126.06 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.3 m -137.39 113.86 10.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' HB3' HD12 ' A' ' 48' ' ' ILE . 64.5 m95 -89.66 119.99 30.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 79' ' ' THR . 13.6 mtm -132.65 135.99 46.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 58.55 45.79 15.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 63.07 30.16 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -127.91 111.85 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.52 127.17 26.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 41' ' ' TRP . 63.4 mt -78.61 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -105.08 118.42 36.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -49.59 135.93 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 t -175.04 165.27 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 68' ' ' LEU . 21.6 tp10 -53.1 -22.71 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -87.46 -37.05 17.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.5 mtp -133.66 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.6 mttm -96.82 167.44 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' C ' ' OE2' ' A' ' 57' ' ' GLU . 53.4 t -144.34 124.04 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.6 mp0 -112.22 106.04 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -92.39 133.74 35.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -165.4 168.17 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.8 OUTLIER -39.15 -70.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' GLU . 78.0 m-20 -35.07 -41.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.86 -134.7 4.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.1 t -131.0 150.99 51.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -133.21 128.92 36.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 55' ' ' LYS . 14.7 tp -108.04 99.88 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -88.91 116.11 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.67 ' HB ' HG12 ' A' ' 25' ' ' VAL . 74.2 mt -99.95 114.57 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.722 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.1 mm? -92.59 149.94 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.53 50.89 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.91 110.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.71 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.5 mtp85 -89.91 162.36 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -66.87 -6.76 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -95.44 -36.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -47.57 -31.5 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.64 121.17 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.86 -151.91 13.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 54.0 t -123.7 102.65 7.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.37 158.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' MET . 27.7 m -141.9 114.92 8.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.411 HD13 ' NE1' ' A' ' 41' ' ' TRP . 29.7 tp -92.58 108.28 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.73 115.75 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.762 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.08 99.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 32.8 mt-10 -102.12 153.31 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' HD13 ' A' ' 86' ' ' LEU . 9.2 p-10 -159.14 179.4 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -52.17 -42.78 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 7' ' ' GLY . 3.9 mp -67.47 -75.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.31 -142.68 3.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.452 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 12.8 p -157.56 155.24 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.446 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.9 tpt180 -138.03 156.4 47.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -141.84 125.7 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.78 -175.67 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -160.43 125.54 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.17 122.47 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.01 129.2 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 tp -119.61 143.98 47.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.8 m -126.63 133.44 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.71 HG21 ' O ' ' A' ' 71' ' ' ARG . 46.0 t -101.55 132.25 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.98 129.99 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -99.58 14.77 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -47.71 154.08 0.98 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 166.83 26.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.28 142.81 92.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.8 33.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.88 11.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.306 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.35 113.51 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.87 -167.1 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.6 p -40.51 141.35 0.89 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.573 0.701 . . . . 0.0 111.151 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.27 25.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 t 70.76 38.34 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -125.4 -92.06 0.89 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 179.7 3.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.748 2.298 . . . . 0.0 112.326 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.5 t -165.75 142.59 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -111.23 147.91 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 m -110.63 -60.29 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -71.62 97.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.6 155.35 12.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m -60.12 144.36 49.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -118.27 -73.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.28 171.05 31.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.4 Cg_endo -69.8 136.22 32.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CG ' HG23 ' A' ' 32' ' ' THR . 4.3 pt20 -145.59 141.04 27.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 91' ' ' ALA . 21.1 mt -93.62 92.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.83 -21.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -128.1 128.48 44.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 8.3 t80 -162.17 139.75 6.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.69 132.45 23.48 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -86.56 -177.72 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.05 119.04 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.31 -178.93 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -130.01 167.77 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 p -157.21 132.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -71.4 119.69 15.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 113.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.412 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 103.21 11.9 32.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -97.25 -174.95 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.8 p -122.17 117.55 26.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.784 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -117.84 171.23 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' H ' HG22 ' A' ' 25' ' ' VAL . 9.8 pt-20 -161.29 109.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.62 115.49 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -114.6 133.29 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -117.92 97.5 0.73 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HB3' HD11 ' A' ' 11' ' ' ILE . 18.8 tttp -57.23 123.26 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.02 HG11 HG11 ' A' ' 82' ' ' VAL . 22.5 m -117.59 136.85 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.454 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.7 t -129.46 148.01 51.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.89 -103.54 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -149.47 108.16 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.171 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.2 mm-40 -68.17 154.63 93.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.69 160.51 87.68 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.356 -0.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -139.27 120.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -71.58 149.68 45.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 82' ' ' VAL . 61.4 m -148.92 108.94 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -119.0 148.9 42.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.57 ' HB3' HD12 ' A' ' 48' ' ' ILE . 59.0 m95 -112.61 126.52 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.3 mtm -137.12 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -155.56 118.61 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 63.85 38.15 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.9 mmm180 68.46 44.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 5.1 pttp -146.4 126.24 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -72.16 114.47 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.57 HD12 ' HB3' ' A' ' 41' ' ' TRP . 78.8 mt -61.39 140.05 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -100.44 125.92 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.42 139.32 49.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.1 p -174.4 168.66 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.6 -19.76 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 20.6 m-70 -88.51 -37.97 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 52.6 mtp -133.26 106.22 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -103.91 169.75 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -141.92 122.17 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -105.35 81.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.42 134.8 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -159.45 169.81 23.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -39.18 -42.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.563 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 171.27 -131.32 2.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 5.8 t -151.0 132.22 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.852 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -110.25 146.63 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 tp -125.1 96.72 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -84.41 139.77 32.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.784 ' HB ' HG12 ' A' ' 25' ' ' VAL . 82.4 mt -121.93 112.93 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.77 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -93.68 148.56 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 43.41 50.68 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.67 144.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.518 ' HE ' ' CE1' ' A' ' 74' ' ' HIS . 64.5 mtm180 -129.29 141.96 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' ARG . 6.8 tp60 -35.56 -37.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' HIS . 11.6 pt-20 -60.44 -47.01 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.518 ' CE1' ' HE ' ' A' ' 71' ' ' ARG . 12.0 m80 -37.4 -41.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -37.58 129.71 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.88 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.91 172.93 15.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.425 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.7 p -93.0 132.47 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -97.98 177.67 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -152.79 121.08 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.93 110.78 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 89' ' ' ARG . 25.4 tp -96.67 124.39 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.02 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -124.2 102.3 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 47.8 mt-10 -102.4 154.07 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 18.2 t30 -159.27 153.59 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -35.35 -40.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 85' ' ' LYS . 48.1 mt -70.86 -72.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.51 -154.96 6.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 34.5 p -149.19 162.62 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 81' ' ' LEU . 1.4 tpm_? -148.38 163.43 37.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -149.23 136.87 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.582 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -116.16 179.58 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -154.22 137.04 15.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.79 121.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -78.28 133.78 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 tp -126.99 147.17 50.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.8 m -135.09 139.43 44.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.6 t -107.45 138.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.46 122.37 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -95.39 16.66 16.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -40.21 142.94 0.67 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.694 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.76 4.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -70.94 147.31 93.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.26 47.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.272 . . . . 0.0 112.345 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 152.27 69.53 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.383 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.13 86.01 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -175.59 -174.92 42.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 p -134.81 152.67 77.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.15 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 p -60.81 156.14 17.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.71 149.78 7.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 101.13 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.3 p -56.27 137.35 52.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.6 m -46.93 149.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' THR . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.738 0.224 . . . . 0.0 112.39 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.473 ' HG2' HG23 ' A' ' 32' ' ' THR . 6.9 pt20 -134.02 150.86 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.5 97.27 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.79 -24.83 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -121.87 128.64 51.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.1 t80 -166.89 139.64 2.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.73 0.776 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.581 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 144.34 53.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -101.83 176.75 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -38.79 114.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -136.48 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -120.12 168.28 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.1 p -159.27 137.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 18.8 mmt85 -76.89 133.97 39.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 112.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.29 -20.62 25.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 4.0 mm-40 -67.54 -175.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -127.71 123.45 35.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.75 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.6 p -114.48 155.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -131.92 102.52 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.0 mt -99.39 107.89 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.36 137.89 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -125.33 90.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HB3' HD11 ' A' ' 11' ' ' ILE . 33.3 tttt -49.98 133.24 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.057 HG11 HG11 ' A' ' 82' ' ' VAL . 34.6 m -125.67 140.63 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.473 HG23 ' HG2' ' A' ' 9' ' ' GLN . 1.9 t -126.85 152.83 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.44 -122.52 1.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.434 ' OG1' HD11 ' A' ' 86' ' ' LEU . 92.4 m -134.26 112.78 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.303 . . . . 0.0 111.141 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -73.68 155.52 89.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.11 88.47 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.377 -0.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.433 ' HB ' ' NE2' ' A' ' 35' ' ' GLN . 43.6 mt -136.57 126.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.7 m -80.53 144.27 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 p -146.41 124.02 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.6 m -125.63 141.89 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.9 m95 -107.98 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.38 172.56 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -152.1 132.53 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 47.02 47.38 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 61.3 43.46 10.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -153.19 110.45 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -54.82 130.18 39.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.0 mt -72.0 144.52 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -106.0 122.13 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -57.81 123.1 14.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.6 p -152.4 -175.75 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.75 1.45 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.464 ' CE1' ' HD2' ' A' ' 71' ' ' ARG . 9.6 m170 -112.38 -28.72 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.588 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 34.7 mtp -138.62 111.15 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -107.23 154.66 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.57 135.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -123.72 89.71 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -73.71 122.67 22.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 m -143.76 178.29 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -61.94 -63.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -40.45 -34.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.826 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 162.73 -154.33 25.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.526 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -126.56 138.25 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -117.62 146.1 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -132.3 101.16 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -87.33 138.99 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.75 ' HB ' HG12 ' A' ' 25' ' ' VAL . 84.7 mt -119.61 98.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.11 145.2 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 51.34 50.1 19.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -36.5 121.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.856 ' O ' HG21 ' A' ' 97' ' ' VAL . 47.8 mtp85 -103.37 163.61 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -31.73 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.67 -31.59 59.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -51.66 -25.18 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.548 ' HB2' HG23 ' A' ' 97' ' ' VAL . 2.5 t -58.66 121.56 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.85 175.55 34.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.8 t -91.42 128.27 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 2.9 m-85 -97.62 178.3 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.0 m -155.2 115.65 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.3 tp -96.28 111.43 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -96.39 137.57 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.057 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.3 105.33 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.14 157.43 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' LEU . 8.0 t30 -166.94 155.01 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ASN . 84.0 tttt -35.86 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' ASN . 96.0 mt -73.55 -74.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 -138.83 3.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 p -160.73 161.82 32.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.5 tpt180 -154.19 158.31 40.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -148.45 126.39 11.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.53 -179.84 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -153.98 140.8 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.16 135.74 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -91.61 141.63 28.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.85 146.59 49.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.5 m -137.12 135.48 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.856 HG21 ' O ' ' A' ' 71' ' ' ARG . 30.7 t -102.64 131.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.48 122.86 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.762 0.234 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.534 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.7 pt20 -149.27 146.78 27.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 91' ' ' ALA . 28.1 mt -101.03 92.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -78.68 -26.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -123.03 125.08 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.5 t80 -160.29 139.5 7.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.8 130.44 19.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -91.77 -179.76 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.97 117.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.2 pt20 -138.32 176.53 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -126.15 170.13 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.1 p -158.98 133.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ALA . 7.5 mmt85 -73.63 116.03 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.42 112.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 10.72 31.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.55 176.28 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.4 p -113.83 118.49 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.554 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -109.16 156.89 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -136.42 105.58 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 65' ' ' LEU . 38.5 mt -103.55 98.9 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' HB2' ' CE ' ' A' ' 64' ' ' LYS . 8.7 t80 -111.09 131.23 55.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.44 98.78 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HB3' HD11 ' A' ' 11' ' ' ILE . 31.6 tttt -57.78 127.75 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.038 HG11 HG11 ' A' ' 82' ' ' VAL . 34.2 m -119.73 141.05 41.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.534 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.7 t -133.51 148.88 51.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.1 -99.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' HD13 ' A' ' 86' ' ' LEU . 90.4 m -148.1 115.05 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.712 0.291 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.7 mm-40 -79.37 155.33 76.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.0 Cg_endo -69.69 159.96 88.59 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.385 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.16 124.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.8 m -73.48 148.82 42.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' SG ' HG12 ' A' ' 82' ' ' VAL . 63.1 m -144.95 120.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.3 m -129.23 134.24 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.529 ' HB3' HD12 ' A' ' 48' ' ' ILE . 44.0 m95 -106.56 111.87 24.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtm -118.43 173.68 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -153.6 128.17 9.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 54.06 48.04 21.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 mmt-85 58.73 40.98 22.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -152.54 114.53 4.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -51.69 141.32 16.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 41' ' ' TRP . 95.5 mt -83.17 145.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -101.12 120.91 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.29 128.87 39.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.4 p -171.44 161.6 6.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.9 tp10 -45.89 -27.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -77.93 -41.84 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.0 mtp -135.01 101.12 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -98.72 165.18 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.19 141.27 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.52 82.55 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.506 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.18 119.81 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 m -142.87 178.51 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.29 -66.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -40.23 -39.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.552 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 166.43 -137.73 4.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -139.65 150.72 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' CE ' ' HB2' ' A' ' 28' ' ' PHE . 30.6 ttmt -128.17 154.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 27' ' ' LEU . 14.3 tp -131.49 97.22 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 m -88.26 119.27 28.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.554 ' HB ' HG12 ' A' ' 25' ' ' VAL . 76.6 mt -103.01 117.32 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.6 mm? -90.83 148.46 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.5 49.26 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.31 105.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.576 ' O ' HG21 ' A' ' 97' ' ' VAL . 34.8 mtp85 -87.06 166.17 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.84 -21.27 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 75' ' ' CYS . 10.5 pt-20 -77.94 -39.99 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -43.15 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.42 ' N ' ' C ' ' A' ' 73' ' ' GLU . 2.0 t -54.34 134.51 45.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.49 -167.57 30.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.12 136.44 47.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.51 161.04 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -141.27 114.35 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 tp -95.41 114.25 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 89' ' ' ARG . 24.3 tp -103.34 127.93 50.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.038 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -126.12 103.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 31.8 mt-10 -106.23 153.98 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 8.2 p-10 -158.8 -179.11 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -52.78 -47.89 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 86' ' ' LEU . 5.9 mp -62.77 -75.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.04 -136.58 2.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.455 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 11.4 p -162.07 169.3 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.558 ' O ' HD12 ' A' ' 81' ' ' LEU . 24.4 tpt85 -152.2 159.81 43.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.4 123.29 11.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -108.48 173.33 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -146.22 154.34 41.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -158.95 141.99 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -99.31 140.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.9 tp -132.83 151.28 52.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.3 m -140.48 136.74 33.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 71' ' ' ARG . 40.5 t -104.81 138.86 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.08 126.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.73 0.221 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.452 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.3 pt20 -140.49 156.6 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 91' ' ' ALA . 30.7 mt -108.67 95.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.94 -31.88 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.506 ' NE2' HG12 ' A' ' 11' ' ' ILE . 1.7 mp0 -123.39 133.51 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 24.3 t80 -168.76 139.42 1.99 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 138.76 38.42 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 50.7 mt-10 -100.24 174.97 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.3 p-10 -34.29 115.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -135.88 176.06 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -122.49 172.4 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 p -160.15 140.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ALA . 13.2 mmt180 -79.92 112.43 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -34.15 110.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.18 11.9 24.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -103.81 176.64 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.5 p -112.67 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -112.21 148.89 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -130.52 103.91 6.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 65' ' ' LEU . 24.3 mt -103.14 98.58 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -105.59 129.48 53.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.5 92.36 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HB3' HD11 ' A' ' 11' ' ' ILE . 26.6 tttt -54.18 130.13 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.088 HG11 HG11 ' A' ' 82' ' ' VAL . 35.5 m -125.35 141.58 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.452 HG23 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -129.23 157.74 41.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.55 -114.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -138.14 112.73 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 35.2 mm-40 -75.26 155.15 86.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.583 0.706 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.78 159.51 89.62 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.328 -0.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.1 mt -134.41 120.64 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -68.36 149.07 49.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.601 ' SG ' HG12 ' A' ' 82' ' ' VAL . 74.7 m -147.91 108.71 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.0 m -118.06 130.95 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.406 ' NE1' HD13 ' A' ' 80' ' ' LEU . 39.7 m95 -101.25 119.42 38.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mtm -126.16 170.92 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -152.77 122.65 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 64.12 40.75 6.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 63.67 32.36 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 128.7 23.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.82 132.65 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.78 149.97 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -107.61 120.96 43.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.25 132.06 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.3 p -173.9 165.91 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -51.16 -17.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -88.29 -38.97 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.1 mtp -137.07 105.1 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -101.5 165.5 11.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.77 125.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -105.28 77.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.58 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -68.18 122.49 18.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -152.42 160.55 43.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -40.97 -59.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.04 -40.79 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.541 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.82 -134.02 3.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -143.21 137.84 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -123.06 122.37 38.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 27' ' ' LEU . 8.8 tp -100.99 102.22 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -92.63 120.59 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.604 ' CG2' ' CE1' ' A' ' 74' ' ' HIS . 46.5 mt -104.08 121.97 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.686 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -93.45 151.3 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 41.3 54.51 3.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -36.78 110.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.955 ' O ' HG21 ' A' ' 97' ' ' VAL . 37.6 mtp85 -94.32 167.98 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -39.4 83.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' HIS . 1.1 pp20? -60.35 -45.57 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 27.0 m170 -36.28 -39.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.9 t -42.0 121.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.55 172.8 25.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 52.2 t -91.52 140.0 30.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.5 m-85 -110.4 178.92 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 91' ' ' ALA . 96.6 m -158.01 120.04 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD13 ' NE1' ' A' ' 41' ' ' TRP . 14.7 tp -100.35 100.65 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 90' ' ' GLN . 14.5 tp -87.56 123.22 32.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.088 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -120.79 107.57 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' LYS . 8.7 t30 -163.92 153.63 14.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' ASN . 54.9 tttt -36.78 -34.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.7 mt -72.72 -72.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.13 -142.01 3.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.1 p -158.79 167.3 29.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -159.23 167.86 27.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' HB3' HD12 ' A' ' 81' ' ' LEU . 14.7 pt20 -161.27 136.21 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' THR . . . -109.52 -175.07 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -154.53 125.09 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.21 129.32 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -88.4 145.53 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -131.43 154.0 49.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.9 m -145.05 136.47 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.955 HG21 ' O ' ' A' ' 71' ' ' ARG . 47.9 t -104.31 137.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.4 122.55 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.726 0.219 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.55 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.4 pt20 -142.0 150.23 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.624 HD13 ' HB2' ' A' ' 91' ' ' ALA . 19.5 mt -104.0 95.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -78.21 -25.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.27 126.1 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 t80 -161.64 139.61 6.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 132.67 23.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.72 -177.95 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 1.6 p-10 -43.81 111.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 2.8 pt20 -133.48 176.17 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -124.22 169.98 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.9 p -161.48 136.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -71.46 135.93 47.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.66 111.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.0 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.54 -175.06 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.3 p -124.49 124.4 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.3 p -107.73 149.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -132.03 102.09 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.6 mt -102.93 105.62 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 19.3 t80 -113.83 133.31 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' HA3' ' CD2' ' A' ' 80' ' ' LEU . . . -115.09 88.51 0.47 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB3' HD11 ' A' ' 11' ' ' ILE . 44.5 tttt -50.02 139.19 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.929 HG11 HG11 ' A' ' 82' ' ' VAL . 27.7 m -132.03 144.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.55 HG23 ' CG ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -110.36 -76.76 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.85 -128.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.634 ' N ' HD11 ' A' ' 37' ' ' ILE . 94.3 m -141.82 112.05 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 0.0 111.147 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.25 153.87 94.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.74 149.57 88.73 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.352 0.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.634 HD11 ' N ' ' A' ' 34' ' ' THR . 29.9 mt -132.52 129.3 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -76.04 141.93 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 1.7 m -136.74 128.66 29.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -132.66 144.02 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.452 ' HE1' ' HG ' ' A' ' 63' ' ' SER . 49.5 m95 -113.24 123.38 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -132.21 167.25 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -149.62 120.92 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 60.44 45.97 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 61.08 36.55 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -147.22 107.28 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -50.91 131.25 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 41' ' ' TRP . 81.9 mt -72.42 149.11 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -105.41 125.67 51.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.51 131.37 50.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -175.05 167.23 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.44 -22.53 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -82.73 -39.85 21.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 57.1 mtp -137.96 105.36 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -98.99 165.29 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.4 t -141.11 135.67 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -125.04 80.88 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.79 142.56 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.25 -178.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.04 -50.2 28.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -51.8 -39.58 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 153.76 -128.62 2.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 9.1 t -143.17 125.53 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.65 148.39 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.8 tp -127.56 98.64 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.8 m -91.92 112.16 23.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.692 ' HB ' HG12 ' A' ' 25' ' ' VAL . 96.2 mt -97.26 121.9 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -93.02 153.45 18.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 41.53 53.73 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.0 93.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ALA . 35.4 mtp85 -79.06 157.17 28.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -54.65 -15.88 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -83.5 -38.0 22.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -45.45 -27.76 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.59 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.44 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.2 t -54.88 118.03 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.18 41.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.53 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.86 127.74 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 6.2 m-85 -103.26 167.55 9.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 91' ' ' ALA . 41.5 m -149.5 116.29 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 12.2 tp -93.03 109.82 21.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 89' ' ' ARG . 23.0 tp -100.56 121.56 41.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.929 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -120.89 110.45 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.12 158.58 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.3 p-10 -163.21 -176.46 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -57.71 -37.08 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.93 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.99 -145.38 4.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 p -151.56 174.0 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' O ' HD12 ' A' ' 81' ' ' LEU . 11.5 tpp180 -161.79 155.92 22.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -141.84 133.74 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -109.23 -178.15 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -155.6 131.25 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.03 136.67 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -101.46 135.78 42.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 13.4 tp -126.25 152.63 45.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.8 m -139.62 126.09 20.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 71' ' ' ARG . 26.8 t -95.45 134.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.52 116.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.4 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.133 0 CA-C-O 120.803 0.251 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' CG ' HG23 ' A' ' 32' ' ' THR . 5.4 pt20 -143.83 144.37 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -98.84 97.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.57 -23.8 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -123.41 124.71 43.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.4 t80 -160.34 139.9 8.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 131.27 20.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -86.04 -176.41 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -48.05 115.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -133.68 176.33 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -125.64 164.77 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 p -153.34 144.11 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 21' ' ' ALA . 2.2 mmt85 -84.64 114.67 22.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -37.12 111.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.04 2.63 31.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.71 -178.24 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.0 p -119.98 117.12 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -105.47 155.27 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -134.06 91.38 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.584 HD12 HD23 ' A' ' 65' ' ' LEU . 39.5 mt -91.39 113.06 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -120.91 135.92 55.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.69 95.36 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' HD11 ' A' ' 11' ' ' ILE . 25.8 tttp -56.19 134.41 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.971 HG11 HG11 ' A' ' 82' ' ' VAL . 34.8 m -125.22 142.59 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.5 t -132.72 153.74 50.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.4 -104.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.0 m -148.92 113.25 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 111.16 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.516 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.6 mm-40 -73.35 155.63 89.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.1 Cg_endo -69.84 161.1 87.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.318 0.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.7 mt -135.47 134.94 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.518 ' O ' HG12 ' A' ' 82' ' ' VAL . 7.3 m -86.46 156.05 20.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 3.7 m -153.64 109.87 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.9 m -119.64 128.28 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.578 ' HB3' HD12 ' A' ' 48' ' ' ILE . 71.7 m95 -96.26 118.27 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.1 mtm -131.94 162.64 30.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -145.1 136.95 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 51.21 43.06 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 63.64 26.69 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 111.42 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.74 137.08 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' A' ' 41' ' ' TRP . 82.7 mt -82.34 145.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.06 123.08 48.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -47.12 142.3 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.01 179.1 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -70.9 -2.77 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -114.3 -31.46 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' HG23 ' A' ' 48' ' ' ILE . 24.8 mtp -129.7 105.81 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.657 ' O ' HD12 ' A' ' 65' ' ' LEU . 31.9 mmtt -95.07 -179.07 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 55' ' ' LYS . 69.1 t -161.83 122.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -113.48 92.84 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -85.97 124.44 32.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 m -154.8 164.99 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -44.08 -63.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.17 -39.82 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.529 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 162.82 -152.23 22.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.2 t -131.97 136.91 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.407 . . . . 0.0 110.866 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 65' ' ' LEU . 34.4 ttmt -113.64 157.15 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 55' ' ' LYS . 21.1 tp -132.99 97.7 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -91.03 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.511 ' HB ' HG12 ' A' ' 25' ' ' VAL . 38.8 mt -98.74 118.77 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 68' ' ' LEU . 2.7 mm? -90.91 147.78 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.42 52.12 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.89 136.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.625 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.8 mtp85 -114.38 162.06 17.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -60.67 -21.52 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.29 -23.97 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -65.8 -13.64 59.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.14 118.75 12.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.12 -155.29 24.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.43 124.22 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -96.7 177.89 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.0 m -162.05 125.63 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -101.05 106.69 18.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.3 tp -94.55 116.65 29.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.971 HG11 HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -115.56 105.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' THR . 15.7 mt-10 -111.21 142.85 42.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.461 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 29.5 p-10 -149.84 -175.01 4.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.99 -32.03 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.76 -74.87 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.74 -139.6 3.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p -156.98 154.23 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.2 tpt180 -143.85 158.24 43.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -146.55 138.02 24.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 79' ' ' THR . . . -115.89 -176.98 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -156.48 125.75 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.72 124.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.79 135.99 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -127.74 153.71 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.5 m -140.72 127.44 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.625 HG21 ' O ' ' A' ' 71' ' ' ARG . 47.3 t -99.58 130.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.81 129.63 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.757 0.232 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.548 ' CG ' HG23 ' A' ' 32' ' ' THR . 19.7 pt20 -144.32 150.79 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mt -106.27 98.98 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.683 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.91 -26.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -121.22 121.39 37.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.5 t80 -157.76 139.61 10.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 132.33 23.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -88.79 176.66 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.37 119.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -139.33 173.11 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -121.32 166.6 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 p -158.08 141.05 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -75.67 135.55 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.0 111.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.25 -17.26 19.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.63 -174.99 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -128.99 132.39 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.509 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -117.09 152.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -127.28 88.94 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -87.87 100.92 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -111.0 131.09 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.08 100.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -60.61 126.24 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.108 HG11 HG11 ' A' ' 82' ' ' VAL . 34.3 m -117.68 140.95 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.548 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.3 t -127.15 151.44 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.38 -116.88 0.75 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.4 m -134.65 104.36 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.23 154.32 95.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.82 160.57 87.97 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.323 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.0 mt -137.63 123.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 82' ' ' VAL . 8.5 m -65.21 148.06 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.3 m -146.73 109.7 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 83.6 m -123.75 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.644 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.6 m95 -108.14 121.79 45.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.8 mtm -128.25 165.38 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -144.2 116.28 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 63.52 40.01 8.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 67.9 43.4 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 15.1 pttt -144.75 125.64 14.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -68.66 113.87 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 41' ' ' TRP . 92.5 mt -58.49 142.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -100.86 124.46 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.36 127.17 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.8 p -164.28 175.73 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.44 -6.2 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -101.28 -36.58 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.2 mtp -135.77 105.18 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -103.12 165.75 10.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -140.95 127.9 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -110.81 82.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.4 118.68 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 m -136.74 177.05 8.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.13 -60.75 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -45.71 -37.44 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.65 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 171.63 -138.22 4.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -143.57 145.56 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -120.69 139.43 53.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -119.47 95.23 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -83.77 122.74 29.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.509 ' HB ' HG12 ' A' ' 25' ' ' VAL . 51.4 mt -106.35 102.73 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.674 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.5 mm? -82.55 144.23 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 50.02 51.85 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.6 106.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.929 ' O ' HG21 ' A' ' 97' ' ' VAL . 33.6 mtp180 -87.07 177.34 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -72.63 -32.16 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' CYS . 0.9 OUTLIER -66.77 -44.22 81.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -40.26 -31.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' GLU . 13.4 t -50.69 111.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.08 -168.63 41.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.515 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.64 122.34 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -92.34 175.88 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -156.76 121.7 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 tp -99.1 105.55 17.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 89' ' ' ARG . 26.6 tp -94.08 120.63 34.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.108 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.0 106.64 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.55 148.05 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.6 t30 -154.01 155.42 35.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -35.63 -38.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.08 -74.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.21 -134.56 2.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 p -166.66 159.41 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.9 tpt180 -144.37 160.65 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -144.97 141.9 29.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 92' ' ' GLN . . . -119.45 -179.12 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 91' ' ' ALA . 67.8 mt-30 -159.01 121.81 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.49 123.25 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -81.03 140.39 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 tp -130.7 157.59 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.6 m -145.64 134.22 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.929 HG21 ' O ' ' A' ' 71' ' ' ARG . 39.8 t -103.04 135.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.99 113.35 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.0 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.725 0.219 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -143.86 147.71 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 91' ' ' ALA . 18.1 mt -101.41 98.03 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.652 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.8 -25.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.96 132.01 54.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 t80 -162.5 140.63 6.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.7 128.74 16.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.236 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -81.43 169.39 17.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 4.1 p-10 -40.0 109.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -124.74 165.67 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.15 167.23 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.9 p -157.78 136.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.0 mmt85 -77.69 114.11 16.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.68 113.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.13 38.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -98.89 174.97 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.0 p -107.3 120.34 41.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -118.5 170.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.486 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.7 pp20? -158.74 129.48 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.31 109.69 15.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -111.33 128.85 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.51 96.37 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HB3' HD11 ' A' ' 11' ' ' ILE . 31.5 tttp -54.87 127.34 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.042 HG11 HG11 ' A' ' 82' ' ' VAL . 34.7 m -120.1 141.2 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 5.1 t -128.52 155.24 45.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.59 -106.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -147.57 106.79 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.516 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -67.02 155.08 91.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.91 87.16 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.355 -0.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.1 mt -135.75 120.6 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 39' ' ' CYS . 94.0 m -70.94 153.08 42.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 38' ' ' THR . 7.1 m -152.54 106.21 3.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 m -120.63 135.03 55.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.656 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.3 m95 -101.45 126.48 48.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mtm -129.74 140.76 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 31.0 tptt -110.35 131.54 54.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 47.5 46.91 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 63.16 27.89 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -132.08 111.83 11.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -45.64 121.93 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 41' ' ' TRP . 98.9 mt -69.0 147.13 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.82 116.83 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -49.84 137.04 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -175.21 165.03 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.537 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.9 tp10 -52.47 -24.72 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -82.8 -39.31 21.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 39.8 mtp -133.35 103.61 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -102.6 166.57 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -140.55 130.87 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -115.94 83.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -67.43 138.03 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -161.43 168.09 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 10.5 tt0 -52.64 -59.43 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -45.53 -38.44 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 165.18 -132.56 2.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -146.75 143.15 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -122.43 125.69 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.49 100.14 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 m -87.3 133.52 33.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.766 ' HB ' HG12 ' A' ' 25' ' ' VAL . 84.5 mt -116.12 115.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.766 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -94.07 149.8 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.14 41.77 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.3 127.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 97' ' ' VAL . 31.7 mtp85 -102.19 169.83 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -65.58 -9.69 28.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -90.1 -27.59 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -56.33 -30.04 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.606 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.401 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.9 t -57.33 125.4 22.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 -139.56 5.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.447 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 36.7 m -134.29 112.45 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 78.0 m-85 -84.15 173.33 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -148.77 112.74 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 41' ' ' TRP . 20.4 tp -95.81 114.73 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 89' ' ' ARG . 18.5 tp -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.042 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -134.83 99.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 81' ' ' LEU . 43.5 mt-10 -101.34 147.0 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.8 t30 -152.63 153.07 32.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 29.6 ttpt -34.69 -36.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' ASN . 85.0 mt -70.07 -73.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.21 -133.01 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 p -166.37 168.08 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.483 ' HB3' HG23 ' A' ' 82' ' ' VAL . 7.7 tpt85 -157.46 160.86 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 14.2 pt20 -148.41 122.71 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -106.83 174.76 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.458 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.8 mp0 -149.52 144.45 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.9 p -147.95 131.93 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.36 136.57 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.9 tp -128.74 135.99 49.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -118.21 129.17 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 71' ' ' ARG . 53.3 t -101.25 136.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.6 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.7 0.209 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' HG3' HG23 ' A' ' 32' ' ' THR . 4.7 pt20 -149.61 137.57 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 91' ' ' ALA . 16.4 mt -92.65 98.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.637 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.6 -24.37 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -121.44 123.32 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 5.9 t80 -157.68 140.07 10.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.83 129.89 18.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 16' ' ' ASP . 80.7 mt-10 -84.8 167.01 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.4 p-10 -34.77 110.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -124.12 -179.83 4.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.6 162.85 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.85 139.72 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.1 mmt85 -76.87 110.73 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -34.7 106.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.01 11.1 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -101.44 -179.37 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.9 p -109.7 121.89 46.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -122.23 175.4 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.601 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.4 pp20? -165.45 128.37 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.402 HD12 HD23 ' A' ' 65' ' ' LEU . 20.3 mt -119.71 111.05 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.41 124.3 50.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.14 99.56 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -57.59 122.06 11.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.046 HG11 HG11 ' A' ' 82' ' ' VAL . 34.9 m -112.5 140.21 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 9' ' ' GLN . 1.8 t -127.97 148.7 50.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.53 -114.66 0.62 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.661 ' OG1' HD11 ' A' ' 86' ' ' LEU . 45.5 m -136.63 110.88 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 111.185 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.22 155.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.2 Cg_endo -69.77 160.96 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.335 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.1 mt -134.68 123.14 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 4.0 m -73.85 151.8 40.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -149.73 115.94 5.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.11 145.64 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.552 ' HB3' HD12 ' A' ' 48' ' ' ILE . 66.2 m95 -112.3 131.62 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.423 ' CB ' ' HA ' ' A' ' 47' ' ' GLN . 4.9 mtm -136.72 136.3 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -106.29 148.92 27.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 37.58 49.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 56.79 39.03 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . 46.2 tttm -150.23 111.93 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 42' ' ' MET . 15.0 tt0 -37.45 139.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 41' ' ' TRP . 90.2 mt -84.28 154.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' HG22 ' A' ' 48' ' ' ILE . 8.5 pt20 -107.74 131.69 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.59 131.25 42.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -165.19 -175.39 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.62 3.54 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.656 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 19.2 m-70 -115.15 -29.58 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.1 mtp -138.7 109.16 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' HD12 ' A' ' 65' ' ' LEU . 12.2 mttp -104.76 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -147.16 128.94 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.05 91.89 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -157.13 172.45 18.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 35.0 tt0 -53.4 -60.09 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -46.02 -37.3 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.61 -132.86 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.448 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -150.46 135.58 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -111.26 137.9 48.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 55' ' ' LYS . 13.1 tp -116.34 96.36 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.2 m -86.01 135.12 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.807 ' HB ' HG12 ' A' ' 25' ' ' VAL . 81.4 mt -119.08 121.07 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.603 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.8 mm? -96.58 150.1 21.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.656 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 33.95 40.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -33.71 138.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.549 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -103.88 176.18 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -67.62 -26.25 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.4 pp20? -70.67 -43.74 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.476 ' ND1' ' HA ' ' A' ' 70' ' ' ALA . 23.2 m170 -37.7 -38.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.6 t -43.8 117.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.02 -146.64 9.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.4 p -128.35 113.07 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.57 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 55.7 m-85 -85.7 143.3 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.6 m -126.89 114.89 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -93.04 106.19 18.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 89' ' ' ARG . 27.3 tp -90.8 125.97 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.046 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -123.42 103.32 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' THR . 39.1 mt-10 -110.17 143.69 39.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.61 HD21 HD12 ' A' ' 86' ' ' LEU . 24.2 p-10 -149.11 -175.23 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -60.45 -24.53 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD11 ' OG1' ' A' ' 34' ' ' THR . 70.6 mt -79.71 -73.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.51 -131.49 2.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.9 p -163.55 150.53 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.518 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.0 tpt180 -140.84 155.93 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -141.38 135.11 30.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -112.05 178.72 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -154.95 118.43 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 13' ' ' PHE . 1.2 p -127.48 129.77 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -84.79 140.17 31.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -134.25 133.1 40.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.4 m -121.43 135.03 55.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.667 HG12 ' HB2' ' A' ' 21' ' ' ALA . 55.7 t -106.27 132.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.46 132.92 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.751 0.229 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mt -101.91 100.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.78 -23.46 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.46 123.38 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.7 t80 -161.32 139.62 7.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 125.34 12.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ASP . 4.6 mm-40 -86.01 172.1 10.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -36.6 113.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -131.29 178.58 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -123.22 168.03 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.12 145.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -81.14 121.77 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -43.68 106.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.78 3.59 25.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.62 174.79 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 m -111.61 113.23 25.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.747 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -108.51 176.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.653 ' H ' HG22 ' A' ' 25' ' ' VAL . 3.5 pt-20 -169.09 105.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' CZ2' ' A' ' 41' ' ' TRP . 15.1 mt -97.06 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -117.34 135.26 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.03 101.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -62.56 130.32 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.973 HG11 HG11 ' A' ' 82' ' ' VAL . 27.8 m -121.03 140.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -105.09 -76.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.67 -130.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.732 ' N ' HD11 ' A' ' 37' ' ' ILE . 23.9 m -132.26 99.5 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.554 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -67.17 150.97 97.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.879 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.3 Cg_endo -69.76 145.83 80.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.375 -0.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.732 HD11 ' N ' ' A' ' 34' ' ' THR . 26.2 mt -126.36 148.24 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 39' ' ' CYS . 31.2 m -83.11 154.12 24.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 38' ' ' THR . 18.0 m -149.17 129.64 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.6 m -137.09 142.6 42.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.504 ' CZ2' ' O ' ' A' ' 27' ' ' LEU . 61.7 m95 -109.53 125.93 53.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtm -137.75 152.25 49.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HZ2' ' N ' ' A' ' 77' ' ' CYS . 25.4 tttp -131.76 134.2 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 53.64 41.92 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 60.53 43.03 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -155.37 105.52 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -38.96 134.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 49' ' ' GLN . 81.1 mt -73.41 156.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.468 ' N ' HG22 ' A' ' 48' ' ' ILE . 84.1 mt-30 -108.79 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.44 128.13 35.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -165.77 -175.71 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -70.95 -8.61 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -34.77 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.567 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.05 105.13 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.7 mttm -100.97 171.85 7.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.93 128.3 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -110.99 81.37 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.55 129.74 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.8 m -154.99 172.51 17.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tp10 -56.71 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.3 m-20 -38.12 -41.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.78 -136.69 4.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -145.33 143.27 30.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -120.23 148.85 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 55' ' ' LYS . 15.7 tp -127.88 100.59 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 25' ' ' VAL . 30.7 m -91.12 127.99 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.747 ' HB ' HG12 ' A' ' 25' ' ' VAL . 91.4 mt -110.21 118.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.672 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.6 mm? -89.74 149.42 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 37.66 40.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.91 101.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -73.65 -174.96 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.89 -29.4 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' HIS . 14.1 pt-20 -69.84 -41.6 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' GLU . 19.6 m80 -36.84 -41.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -42.1 126.82 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.76 -140.06 5.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.579 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 19.5 p -137.83 122.51 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -95.0 173.23 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 91' ' ' ALA . 54.5 m -158.27 112.74 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 tp -91.87 116.35 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 tp -102.5 119.88 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.973 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -118.67 102.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 46.1 mt-10 -104.34 162.97 12.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.7 p-10 -165.74 -175.06 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 84.6 mt -76.89 -75.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.13 -135.98 2.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.406 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 16.6 p -163.4 154.11 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.439 ' HB3' HG23 ' A' ' 82' ' ' VAL . 6.9 tpt85 -136.72 154.88 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -140.56 136.0 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 79' ' ' THR . . . -114.32 179.37 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -156.38 122.03 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -134.05 128.24 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -88.7 140.39 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -126.83 139.53 53.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.3 m -124.96 121.45 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 71' ' ' ARG . 19.3 t -93.05 132.26 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.75 119.22 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.116 0 CA-C-O 120.736 0.223 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.533 ' CG ' HG23 ' A' ' 32' ' ' THR . 14.0 pt20 -143.47 151.34 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt -105.14 96.94 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.67 -27.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -120.43 128.62 53.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 13.6 t80 -167.79 139.34 2.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.584 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.77 147.47 62.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ASP . 18.5 mt-10 -107.82 175.49 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -34.51 111.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.5 pt20 -133.7 175.45 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -125.78 163.66 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p -155.16 137.17 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HD3' HG23 ' A' ' 98' ' ' VAL . 25.1 mmt85 -71.67 132.88 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.18 111.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.0 14.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.9 -175.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.7 p -125.51 130.14 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.9 p -113.45 149.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -128.72 94.95 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -93.41 108.62 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -115.65 133.96 55.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.02 94.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -55.68 137.87 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.056 HG11 HG11 ' A' ' 82' ' ' VAL . 28.0 m -127.37 144.8 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.533 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.8 t -135.29 150.46 50.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.16 -98.4 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.0 m -153.34 107.21 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 41.2 mm-40 -69.69 154.9 94.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.77 160.74 87.54 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 -1.791 . . . . 0.0 112.346 0.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.7 mt -137.62 118.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.2 m -72.1 151.5 43.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 82' ' ' VAL . 7.5 m -151.46 122.99 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -131.46 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.528 ' HB3' HD12 ' A' ' 48' ' ' ILE . 52.4 m95 -100.88 124.22 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -129.3 163.09 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -140.68 117.73 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 64.45 43.4 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 63.95 36.48 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -139.85 128.79 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.41 125.07 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 41' ' ' TRP . 73.8 mt -70.87 151.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -108.76 124.05 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.61 131.06 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.5 t -175.2 166.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 68' ' ' LEU . 36.8 tt0 -50.94 -24.25 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -80.39 -40.76 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 mtp -137.66 105.56 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -100.73 170.29 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -147.46 133.24 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -113.92 83.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.476 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -70.2 125.56 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m -155.2 163.16 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 24.4 tt0 -45.96 -60.04 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -40.72 -41.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.95 -141.43 7.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -136.89 140.2 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -120.54 151.87 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.2 tp -128.59 98.83 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -89.91 116.97 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.691 ' HB ' HG12 ' A' ' 25' ' ' VAL . 90.9 mt -101.68 121.86 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.69 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -94.71 154.36 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.19 53.77 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.7 101.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.578 ' O ' HG21 ' A' ' 97' ' ' VAL . 28.6 mtp85 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -65.79 -19.11 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -82.42 -28.99 31.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -56.78 -32.41 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.597 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.2 t -46.87 136.68 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.52 -177.32 23.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.5 t -97.63 142.7 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.355 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.89 177.66 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.2 m -152.4 108.67 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -90.95 113.49 25.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -98.88 138.8 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.056 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.7 105.06 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -110.66 149.78 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 7.9 p-10 -154.64 179.01 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -54.44 -36.95 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 38.0 mt -68.52 -75.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 -132.39 2.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.434 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.2 p -163.67 158.39 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB3' HG23 ' A' ' 82' ' ' VAL . 3.4 tpm_? -148.51 163.58 36.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -154.45 125.91 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -110.04 179.65 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.473 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.5 mp0 -150.73 150.96 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.04 123.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.96 142.01 38.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.8 tp -136.78 148.11 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -136.43 147.41 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 71' ' ' ARG . 50.0 t -114.9 131.11 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.468 HG23 ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.9 118.12 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.9 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.74 0.225 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' HG3' HG23 ' A' ' 32' ' ' THR . 4.0 pt20 -153.43 141.12 19.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.8 mt -98.64 99.28 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.607 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.37 -23.63 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -123.79 123.99 41.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -159.05 139.86 9.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 125.83 12.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.29 173.82 10.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -39.24 119.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -141.1 170.58 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.39 173.92 6.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 p -162.97 132.22 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.1 122.94 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -45.07 112.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.79 -4.56 30.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.14 -176.08 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 m -122.11 112.29 18.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.753 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -109.12 167.72 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 1.4 pm0 -159.45 120.63 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -109.85 116.97 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -122.1 123.68 42.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.58 102.66 1.73 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HB3' HD11 ' A' ' 11' ' ' ILE . 27.2 tttp -61.84 133.32 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 82' ' ' VAL . 27.5 m -123.69 143.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -111.64 -76.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.58 -112.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.794 ' H ' HD11 ' A' ' 37' ' ' ILE . 53.9 m -157.81 109.77 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.659 0.266 . . . . 0.0 111.192 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.54 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.5 mm-40 -68.19 153.42 95.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.76 153.82 93.08 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.339 -0.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.794 HD11 ' H ' ' A' ' 34' ' ' THR . 48.6 mt -138.15 128.35 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 m -76.49 146.83 38.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 82' ' ' VAL . 40.3 m -141.56 123.73 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.5 m -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -112.99 124.86 53.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -131.01 165.89 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -146.94 115.87 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 63.89 46.43 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? 61.47 41.52 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -153.3 112.09 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.75 129.77 30.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.4 mt -73.36 150.6 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -107.02 128.47 54.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.45 133.67 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -175.21 172.62 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 68' ' ' LEU . 27.6 tt0 -56.39 -27.8 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -78.22 -40.95 35.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 62.7 mtp -135.62 104.25 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -97.94 161.58 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.4 t -140.02 129.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -118.3 85.83 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -72.01 134.56 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -158.68 167.61 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.4 tp10 -47.92 -63.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -39.23 -41.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.85 -145.78 10.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 11.1 t -127.8 142.64 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -122.69 147.52 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.6 tp -133.46 104.41 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 25' ' ' VAL . 9.7 m -93.95 138.0 32.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.753 ' HB ' HG12 ' A' ' 25' ' ' VAL . 80.8 mt -117.6 116.69 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.696 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -92.02 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.5 46.43 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.19 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.728 ' O ' HG21 ' A' ' 97' ' ' VAL . 41.5 mtp85 -85.77 168.02 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -62.8 -27.3 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' HIS . 23.7 pt-20 -73.48 -40.82 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' GLU . 10.3 m80 -39.36 -41.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.496 ' HB2' HG23 ' A' ' 97' ' ' VAL . 25.3 t -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.18 -137.14 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.2 p -138.09 131.93 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -109.23 163.73 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -146.7 123.83 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 tp -101.27 105.3 16.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -94.2 120.08 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 31' ' ' VAL . 3.1 m -117.83 115.17 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -117.27 146.23 43.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 25.1 p-10 -149.15 -176.66 5.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.96 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.7 mt -75.5 -75.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.8 -130.77 2.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.4 p -163.25 168.65 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 16.7 tpt180 -156.24 158.82 38.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.36 129.56 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.3 -178.95 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -155.27 131.5 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -142.19 131.54 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -94.45 141.75 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -133.3 150.48 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -137.01 135.19 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.728 HG21 ' O ' ' A' ' 71' ' ' ARG . 33.0 t -101.67 136.08 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.0 126.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.87 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.136 0 CA-C-O 120.747 0.228 . . . . 0.0 112.328 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.0 pt20 -148.12 146.57 28.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 91' ' ' ALA . 18.2 mt -98.16 95.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.31 -26.31 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -125.04 130.38 52.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.0 t80 -165.31 139.56 3.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 137.4 35.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.46 -176.9 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -43.89 113.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -133.08 172.26 12.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -117.91 169.35 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -159.86 131.76 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 12.4 mmt85 -73.89 117.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -37.72 113.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.09 12.84 30.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -100.54 -178.24 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.2 p -115.8 119.76 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.774 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -115.69 150.3 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -134.68 106.32 6.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 HD23 ' A' ' 65' ' ' LEU . 37.9 mt -101.36 96.25 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.07 131.11 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.31 96.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -56.2 134.75 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.081 HG11 HG11 ' A' ' 82' ' ' VAL . 36.0 m -126.83 145.62 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -137.49 145.67 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.4 -99.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 72.4 m -156.72 105.45 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 111.168 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.545 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 30.9 mm-40 -65.96 154.34 89.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.718 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.74 160.9 87.17 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.331 -0.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.8 mt -138.78 126.28 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 m -79.72 146.38 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.662 ' SG ' HG12 ' A' ' 82' ' ' VAL . 58.1 m -141.07 128.77 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 m -129.31 134.43 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -107.42 109.29 20.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -117.94 172.34 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' NZ ' ' CZ ' ' A' ' 78' ' ' TYR . 18.2 tttp -154.51 121.1 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 60.24 45.24 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 60.71 42.68 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -156.16 110.72 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -47.84 130.79 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.3 mt -75.05 141.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -97.09 126.12 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -60.71 136.92 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -175.4 162.33 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.653 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.1 pt-20 -48.83 -28.25 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.66 -39.41 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtp -132.57 97.55 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 31.5 mtmt -93.04 -179.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -151.85 130.53 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.03 85.28 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -84.01 145.94 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -173.09 -176.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -50.96 -48.35 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 8.5 m-80 -53.36 -38.28 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 153.99 -127.55 2.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -142.17 136.56 30.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.428 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -120.83 153.63 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 55' ' ' LYS . 15.4 tp -131.28 97.92 4.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -87.09 119.09 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.774 ' HB ' HG12 ' A' ' 25' ' ' VAL . 99.2 mt -102.67 113.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 52' ' ' GLU . 2.5 mm? -87.99 150.55 23.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 40.51 51.8 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.29 110.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.769 ' O ' HG21 ' A' ' 97' ' ' VAL . 8.2 mmm180 -88.24 156.36 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -58.08 -25.57 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.1 pt-20 -80.06 -40.72 27.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 18.7 m80 -40.67 -35.98 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.566 ' HB2' HG23 ' A' ' 97' ' ' VAL . 2.4 t -42.54 124.97 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.62 -173.44 42.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.3 t -103.27 129.25 50.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CZ ' ' NZ ' ' A' ' 43' ' ' LYS . 9.6 m-85 -103.5 167.85 9.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 91' ' ' ALA . 51.7 m -150.03 128.7 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -106.45 107.86 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 89' ' ' ARG . 19.9 tp -99.26 117.68 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.081 HG11 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -115.95 109.79 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -107.51 148.73 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 25.0 t30 -155.47 154.12 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.496 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -32.59 -44.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 86' ' ' LEU . 7.2 mp -67.02 -75.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.94 -158.64 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.2 p -143.97 166.9 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 81' ' ' LEU . 10.8 tpt180 -150.56 156.73 41.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.55 131.45 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' THR . . . -110.42 -176.14 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -157.69 137.0 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.21 137.59 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -101.19 144.79 29.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.3 tp -135.26 152.5 51.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -138.43 135.62 35.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 71' ' ' ARG . 24.9 t -103.03 133.28 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.33 131.92 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.6 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.119 0 CA-C-O 120.78 0.242 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.484 ' HG2' HG23 ' A' ' 32' ' ' THR . 13.1 pt20 -147.83 151.96 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.3 98.21 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.68 -22.62 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.17 126.44 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.0 t80 -164.91 139.24 4.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 123.31 9.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ASP . 34.8 mp0 -83.46 173.89 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.85 116.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.818 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.46 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -122.93 169.01 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.6 p -161.78 136.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -72.42 138.52 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.96 110.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.09 -20.1 17.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.16 -175.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -127.0 131.61 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.914 HG12 ' HB ' ' A' ' 67' ' ' ILE . 4.7 p -117.01 154.32 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -134.62 100.65 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 HD23 ' A' ' 65' ' ' LEU . 41.8 mt -100.33 108.98 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -118.0 126.87 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.77 98.23 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HB3' HD11 ' A' ' 11' ' ' ILE . 27.5 tttt -62.97 136.77 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 82' ' ' VAL . 35.9 m -127.37 143.17 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -106.09 -76.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.2 -136.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.6 m -124.94 99.1 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -62.95 151.76 85.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.74 153.85 93.03 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.335 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 mt -131.88 131.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 39' ' ' CYS . 47.0 m -74.39 154.03 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.711 ' SG ' HG12 ' A' ' 82' ' ' VAL . 85.9 m -145.73 134.94 22.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 m -141.51 140.55 33.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.656 ' HB3' HD12 ' A' ' 48' ' ' ILE . 78.9 m95 -109.0 129.46 55.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 mtm -137.68 156.38 48.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -136.83 126.31 25.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 55.78 50.63 13.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 55.75 41.55 30.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -152.16 105.01 3.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -43.8 136.13 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 41' ' ' TRP . 92.7 mt -77.12 151.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -112.14 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.29 137.01 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.4 p -173.44 173.55 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.49 -4.7 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 71' ' ' ARG . 7.6 m-70 -105.23 -35.33 7.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 mtp -135.49 110.47 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 65' ' ' LEU . 28.9 mmtt -94.94 -176.63 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 55' ' ' LYS . 70.8 t -161.54 122.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -110.64 78.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -77.47 125.52 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -155.78 -177.76 6.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.6 tt0 -58.1 -69.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' GLU . 26.1 m120 -36.75 -36.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.06 -132.5 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.0 t -152.12 144.57 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.878 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -120.43 154.85 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.561 HD23 HD12 ' A' ' 27' ' ' LEU . 14.7 tp -132.05 94.09 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -85.63 114.53 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.914 ' HB ' HG12 ' A' ' 25' ' ' VAL . 43.4 mt -97.91 120.79 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.66 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.7 mm? -97.39 147.48 24.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.25 53.33 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.16 108.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.725 ' O ' HG21 ' A' ' 97' ' ' VAL . 24.3 mtp180 -92.14 151.26 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HA ' HG11 ' A' ' 97' ' ' VAL . 5.1 tt0 -53.38 -26.58 19.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 pp20? -72.65 -38.41 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 27.6 m170 -45.36 -31.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 39.8 t -50.92 114.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.93 -147.96 9.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.55 126.7 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -102.61 168.16 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 91' ' ' ALA . 34.8 m -150.99 118.86 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -97.06 112.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 89' ' ' ARG . 18.6 tp -97.57 120.63 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -116.38 99.47 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 37.7 mt-10 -98.06 152.91 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.47 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 5.7 p-10 -155.42 -175.05 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -44.41 84.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.81 -72.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -148.29 -135.45 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.465 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 50.9 p -161.8 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.502 ' HB3' HG23 ' A' ' 82' ' ' VAL . 9.8 tpt180 -132.72 160.72 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -143.62 138.13 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 79' ' ' THR . . . -117.92 -178.35 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -155.53 133.01 11.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.85 119.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -80.35 134.61 36.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -123.21 152.03 41.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.3 m -137.37 131.24 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.725 HG21 ' O ' ' A' ' 71' ' ' ARG . 58.7 t -101.15 132.85 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.29 120.98 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 CA-C-O 120.73 0.221 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.7 pt20 -151.05 144.46 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.27 96.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.599 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -79.07 -25.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -126.0 122.17 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.3 t80 -156.97 139.4 10.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 124.38 11.04 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.28 175.52 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.11 126.04 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -145.54 175.01 10.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -123.12 170.53 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p -159.92 150.11 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.6 mmt85 -87.74 116.46 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -36.71 109.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 110.7 1.81 28.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.31 178.62 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.4 p -114.67 117.6 31.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.589 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -110.87 154.15 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -134.93 106.2 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.0 mt -107.94 108.42 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 28.2 t80 -121.07 137.11 54.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.9 90.58 0.5 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HB3' HD11 ' A' ' 11' ' ' ILE . 15.2 tttm -51.59 134.27 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.787 HG11 HG11 ' A' ' 82' ' ' VAL . 29.8 m -126.28 145.11 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -110.69 -76.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.26 -130.24 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.559 ' N ' HD11 ' A' ' 37' ' ' ILE . 98.1 m -140.62 105.46 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.144 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 32.0 mm-40 -65.68 154.03 89.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.8 Cg_endo -69.73 155.81 93.01 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.381 -0.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.559 HD11 ' N ' ' A' ' 34' ' ' THR . 24.9 mt -140.32 130.04 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.9 m -70.87 150.21 46.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -145.81 126.23 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.0 m -135.48 138.29 43.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.751 ' HB3' HD12 ' A' ' 48' ' ' ILE . 58.2 m95 -105.87 120.11 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.4 mtm -134.2 150.46 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -126.6 122.26 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE1' ' SG ' ' A' ' 77' ' ' CYS . 10.5 m-85 57.43 47.14 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 61.98 29.99 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.26 112.15 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -54.27 122.01 9.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' A' ' 41' ' ' TRP . 76.2 mt -66.04 146.9 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -107.35 123.75 48.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.57 134.59 57.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -173.06 168.43 4.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.18 -15.79 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 22.0 m-70 -96.29 -34.39 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.0 mtp -133.08 96.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 65' ' ' LEU . 42.4 mttm -95.86 167.7 11.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.7 t -144.79 127.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.27 84.87 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -83.69 128.99 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.39 -175.82 5.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CD ' ' HG3' ' A' ' 35' ' ' GLN . 4.8 tp10 -53.15 -49.03 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -52.47 -39.09 60.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.475 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 157.22 -127.15 1.87 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -145.83 133.21 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.39 148.27 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 55' ' ' LYS . 17.8 tp -128.9 97.81 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -88.48 115.89 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.589 ' HB ' HG12 ' A' ' 25' ' ' VAL . 67.3 mt -99.16 108.76 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.697 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -85.45 146.64 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 44.82 49.72 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . -35.27 122.37 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 97' ' ' VAL . 46.2 mtp180 -102.61 164.52 11.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -62.63 -17.09 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 2.6 pt-20 -86.06 -31.63 21.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 16.7 m170 -57.12 -20.47 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.62 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.4 t -57.02 134.03 55.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.24 172.0 15.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.562 ' SG ' ' CE1' ' A' ' 44' ' ' PHE . 20.1 p -84.95 141.21 30.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -108.31 177.61 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 89.9 m -155.0 116.81 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -99.88 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -92.87 123.31 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.787 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -123.07 99.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -103.94 152.81 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' LEU . 8.3 p-10 -154.39 -175.13 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -31.77 70.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.452 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 80.0 mt -77.51 -75.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -144.3 -135.63 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 p -163.4 155.18 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.594 ' HB3' HG23 ' A' ' 82' ' ' VAL . 26.4 tpt180 -137.53 156.24 48.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -144.73 130.57 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -114.08 -177.55 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -157.27 130.49 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.44 118.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -77.48 142.26 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -137.0 141.35 42.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.8 m -126.49 132.22 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 75' ' ' CYS . 38.6 t -99.49 132.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.45 123.88 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.6 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.895 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.746 0.227 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG3' ' CG2' ' A' ' 32' ' ' THR . 18.5 pt20 -147.68 149.9 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.44 98.05 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.64 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.32 -24.49 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -124.27 129.84 51.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.2 t80 -165.26 139.68 4.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.58 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.76 138.27 37.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -93.11 174.16 7.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.28 115.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -134.3 174.74 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -124.06 163.34 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.07 139.01 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -71.99 133.17 45.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -52.22 111.44 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.69 -20.57 15.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.82 -176.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.7 p -124.75 126.4 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.596 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -111.8 154.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -133.75 100.76 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -99.67 106.44 18.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -114.93 132.17 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.66 102.43 0.95 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HB3' HD11 ' A' ' 11' ' ' ILE . 14.9 tttm -61.23 127.17 30.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.992 HG11 HG11 ' A' ' 82' ' ' VAL . 32.8 m -118.97 142.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.434 ' CG2' ' HG3' ' A' ' 9' ' ' GLN . 7.7 t -131.07 154.9 47.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.71 -99.05 0.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -154.2 111.03 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.686 0.279 . . . . 0.0 111.126 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 33.8 mm-40 -72.77 155.23 90.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.71 161.18 86.59 Favored 'Cis proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.381 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -136.97 125.65 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.441 ' O ' HG12 ' A' ' 82' ' ' VAL . 14.6 m -72.86 151.37 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.438 ' SG ' HG12 ' A' ' 82' ' ' VAL . 55.8 m -149.9 117.36 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -129.34 138.66 51.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.704 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.6 m95 -106.25 118.17 35.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mtm -128.75 137.62 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CE ' ' HA3' ' A' ' 76' ' ' GLY . 21.2 tttt -114.04 122.05 45.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 58.02 47.21 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 61.32 29.91 18.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -128.61 114.96 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -57.5 121.68 10.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.704 HD12 ' HB3' ' A' ' 41' ' ' TRP . 75.2 mt -71.68 143.15 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -106.44 119.81 40.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.86 133.91 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.49 178.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -63.72 -15.81 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -90.86 -37.94 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.98 106.61 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -101.95 167.63 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -144.61 132.19 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -114.2 82.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.65 118.47 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.7 m -136.43 -179.85 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -65.46 -60.49 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -45.92 -38.59 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.548 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 172.08 -142.21 6.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -139.34 139.36 37.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -112.55 153.42 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD22 ' CE3' ' A' ' 41' ' ' TRP . 17.4 tp -132.79 95.74 3.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.0 m -86.23 127.34 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.596 ' HB ' HG12 ' A' ' 25' ' ' VAL . 78.9 mt -110.56 114.7 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.8 mm? -89.23 149.64 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 43.18 53.68 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.63 93.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ALA . 32.7 mtp85 -77.51 152.69 34.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -53.1 -17.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -80.44 -33.49 36.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.454 ' CE1' HG23 ' A' ' 67' ' ' ILE . 16.9 m170 -51.38 -32.51 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.84 125.03 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.454 ' HA3' ' CE ' ' A' ' 43' ' ' LYS . . . 152.24 178.99 27.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.2 p -96.59 135.24 38.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.7 m-85 -102.61 175.46 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.4 m -153.35 119.09 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -97.67 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 tp -97.0 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.992 HG11 HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -122.84 104.04 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.89 153.26 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 11.5 p-10 -162.2 174.19 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -45.57 -49.79 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.11 -76.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.99 -143.33 3.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 p -153.58 169.75 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HB3' HG23 ' A' ' 82' ' ' VAL . 22.3 tpt180 -155.97 159.89 39.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.51 138.16 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.0 -178.56 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -154.25 122.36 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.38 119.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -76.61 146.58 38.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -143.27 151.04 40.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.4 m -142.22 144.39 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 71' ' ' ARG . 63.9 t -110.56 131.1 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.64 118.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.909 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.243 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.41 ' CG ' HG23 ' A' ' 32' ' ' THR . 13.0 pt20 -141.99 151.36 42.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -104.14 96.88 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.14 -25.36 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -168.96 139.88 1.96 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 131.92 22.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.4 -175.66 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -46.27 114.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.3 pt20 -137.57 171.41 14.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -119.48 169.35 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 p -160.41 132.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -70.4 125.5 26.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -45.32 111.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 117.14 -32.69 5.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.12 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.0 p -128.05 129.49 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.76 158.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -134.97 85.63 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 65' ' ' LEU . 40.1 mt -84.44 106.67 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -118.15 129.03 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.48 96.96 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.463 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HB3' HD11 ' A' ' 11' ' ' ILE . 14.6 tttm -56.57 128.01 34.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.041 HG11 HG11 ' A' ' 82' ' ' VAL . 33.0 m -121.09 141.77 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.41 HG23 ' CG ' ' A' ' 9' ' ' GLN . 3.2 t -131.33 156.78 44.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.79 -100.57 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -151.63 105.69 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.712 0.291 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.21 154.66 94.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.8 160.83 87.47 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.382 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.87 129.12 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.9 m -78.21 149.4 33.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.515 ' SG ' HG12 ' A' ' 82' ' ' VAL . 59.9 m -146.63 107.44 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -112.52 139.55 48.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.474 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.7 m95 -108.66 120.85 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 mtm -130.35 171.97 12.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -156.15 123.74 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 64.79 38.78 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 63.1 41.94 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.72 125.86 9.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.64 132.82 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 41' ' ' TRP . 89.5 mt -75.08 144.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -103.15 115.0 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.57 136.06 27.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' MET . 3.5 t -173.79 157.91 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.08 -20.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' SER . 5.6 m170 -87.08 -38.7 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 24.6 mtp -133.17 102.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -101.82 169.83 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.6 t -142.67 138.87 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -120.73 82.48 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.56 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -69.65 131.56 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -157.1 175.39 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.23 -63.82 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -38.97 -42.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.602 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 168.65 -134.4 3.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 25.6 t -141.04 148.23 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -126.91 147.84 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD23 HD12 ' A' ' 27' ' ' LEU . 14.3 tp -128.12 97.47 4.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -86.55 119.41 26.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -103.31 107.07 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.9 mm? -84.51 146.72 27.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.36 53.6 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.47 111.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.711 ' O ' HG21 ' A' ' 97' ' ' VAL . 9.0 mmm180 -91.64 151.68 20.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -55.35 -29.16 57.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 74' ' ' HIS . 10.0 pt-20 -73.77 -42.14 61.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' GLU . 18.6 m80 -38.29 -36.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.8 t -42.14 115.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.6 170.67 33.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -88.8 130.0 35.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -101.69 175.13 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.7 m -152.39 126.11 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -104.97 105.47 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.62 121.15 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.041 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -118.67 109.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -108.47 140.15 42.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.3 t30 -148.84 157.46 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.475 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 17.0 tptt -34.65 -46.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.51 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.0 -131.43 2.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.0 p -164.53 176.95 8.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.6 tpt85 -165.77 159.87 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -149.99 126.27 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 79' ' ' THR . . . -108.04 -175.54 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -156.87 142.74 17.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.54 141.42 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -100.23 128.54 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.0 tp -123.66 156.28 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.4 m -144.5 139.53 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.711 HG21 ' O ' ' A' ' 71' ' ' ARG . 61.5 t -108.42 135.99 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.46 123.17 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.117 0 CA-C-O 120.723 0.218 . . . . 0.0 112.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -145.76 152.87 40.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 91' ' ' ALA . 22.9 mt -106.66 96.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.55 -26.03 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.08 129.12 50.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 10.3 t80 -164.3 139.65 4.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.77 135.06 29.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -91.47 -177.68 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -46.91 114.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -137.75 167.94 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -113.45 169.98 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -163.41 129.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.73 131.83 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -50.35 111.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 114.62 -24.69 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -62.46 -177.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.5 p -123.66 124.91 43.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.943 HG12 ' HB ' ' A' ' 67' ' ' ILE . 4.0 p -113.05 153.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.45 89.9 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -88.08 104.48 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -114.4 124.54 52.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -110.59 93.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HB3' HD11 ' A' ' 11' ' ' ILE . 35.2 tttt -52.1 125.11 14.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.982 HG11 HG11 ' A' ' 82' ' ' VAL . 33.7 m -118.83 141.57 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 5.9 t -130.68 153.17 49.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.13 -110.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -144.91 105.65 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.7 mm-40 -67.98 155.01 92.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.7 160.9 87.08 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.332 -0.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -139.75 136.68 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.0 m -82.52 153.1 25.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' A' ' 82' ' ' VAL . 49.8 m -154.76 105.15 2.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.7 m -117.23 137.92 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.618 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.0 m95 -101.09 126.06 47.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' THR . 16.6 mtm -135.3 156.92 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -131.75 116.12 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 60.11 47.25 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 63.19 33.19 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -134.21 112.8 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.99 125.65 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 41' ' ' TRP . 87.6 mt -72.81 141.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -103.65 113.72 27.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -45.76 137.19 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -170.62 -175.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.99 -16.87 62.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 19.8 m-70 -92.7 -36.55 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.598 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.3 mtp -132.52 107.04 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 65' ' ' LEU . 27.5 mtmt -103.05 176.82 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -147.7 137.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -124.02 85.97 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.72 131.42 46.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -152.62 170.2 20.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.63 -59.39 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -45.02 -37.07 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.6 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 167.54 -137.35 4.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -139.72 136.14 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -112.65 136.36 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 55' ' ' LYS . 10.0 tp -116.96 97.33 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -83.0 126.51 32.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.943 ' HB ' HG12 ' A' ' 25' ' ' VAL . 85.0 mt -110.95 107.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.7 mm? -88.54 146.43 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 49.59 53.27 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -33.68 94.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.504 ' H ' ' CE1' ' A' ' 74' ' ' HIS . 49.4 ttt85 -83.09 152.79 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -45.75 -43.75 13.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.5 pt-20 -54.04 -44.65 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.504 ' CE1' ' H ' ' A' ' 71' ' ' ARG . 78.0 m80 -44.12 -36.45 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.2 t -45.18 123.2 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 148.3 175.79 21.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.0 140.7 29.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.08 -176.45 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 91' ' ' ALA . 57.9 m -158.95 119.01 3.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -98.42 103.31 15.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 tp -89.23 137.08 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.982 HG11 HG11 ' A' ' 31' ' ' VAL . 1.2 m -136.86 105.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -112.19 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 7.7 p-10 -148.98 -179.82 7.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -53.5 -39.06 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.96 -74.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.5 -136.38 2.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 p -158.71 164.11 36.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.489 ' HB3' HG23 ' A' ' 82' ' ' VAL . 32.2 tpt85 -152.83 157.36 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.12 130.58 17.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.613 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -107.17 -176.71 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -155.74 133.63 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.78 125.01 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -86.13 135.26 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -129.81 145.14 51.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -132.73 131.96 41.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 21' ' ' ALA . 44.8 t -100.8 134.27 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.65 117.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.734 0.222 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -145.89 148.48 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 mt -99.12 97.18 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.667 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -79.5 -31.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.479 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 mp0 -122.86 140.16 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.8 t80 -170.34 139.7 1.48 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 130.63 19.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -90.09 179.74 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -43.74 118.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.2 pt20 -139.44 178.67 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -124.04 168.67 12.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.85 136.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.55 131.14 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.31 112.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 113.3 -24.36 12.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -66.26 -175.04 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.5 p -127.6 122.88 34.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.73 160.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.95 89.16 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.759 HD12 HD23 ' A' ' 65' ' ' LEU . 39.2 mt -87.98 95.85 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -107.08 129.08 54.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.97 96.49 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' A' ' 11' ' ' ILE . 24.8 tttp -56.08 138.97 48.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.863 HG11 HG11 ' A' ' 82' ' ' VAL . 27.8 m -132.52 151.42 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 4.3 t -141.05 150.39 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.71 -109.84 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -143.51 105.82 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 40.2 mm-40 -68.61 154.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.73 160.84 87.26 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.328 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.12 131.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -81.05 152.93 27.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.518 ' SG ' HG12 ' A' ' 82' ' ' VAL . 9.9 m -154.04 119.75 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -127.02 136.09 51.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -104.5 114.9 29.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -121.21 150.0 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 77' ' ' CYS . 24.2 tttt -129.78 122.32 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 63.75 44.34 5.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 60.87 39.06 17.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -150.92 120.89 7.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -52.12 126.51 18.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.61 144.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -96.01 121.8 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.07 122.6 15.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -161.18 164.5 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.28 -20.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -85.61 -39.38 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.2 mtp -134.62 100.96 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.6 168.62 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.0 t -145.1 128.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -120.32 85.58 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.414 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 2.9 p30 -81.41 141.2 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.83 -175.94 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 45.3 tt0 -53.04 -45.62 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.48 -38.55 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 154.15 -126.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t -146.88 130.85 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 110.829 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -116.63 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.759 HD23 HD12 ' A' ' 27' ' ' LEU . 14.6 tp -113.09 96.84 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -86.97 119.31 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.24 112.43 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.744 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -90.46 146.44 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.93 49.26 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.168 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.26 117.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.744 ' O ' HG21 ' A' ' 97' ' ' VAL . 41.1 mtp180 -95.53 171.28 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -66.72 -28.13 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.472 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.2 pp20? -72.96 -45.14 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.472 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 25.5 m170 -36.75 -40.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.6 t -46.48 118.87 2.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.41 -134.47 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 26.5 p -137.26 145.25 43.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 4.2 m-85 -119.29 170.82 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 91' ' ' ALA . 91.6 m -151.15 122.89 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -100.09 110.95 23.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 tp -102.12 118.63 37.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.863 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -118.08 108.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -110.09 144.14 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.5 t30 -149.62 156.61 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -38.37 -31.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.57 -74.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.19 -132.74 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.502 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.4 p -168.62 164.01 12.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.4 tpt180 -151.34 158.77 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -147.52 133.58 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 79' ' ' THR . . . -119.9 -175.74 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -156.93 141.96 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -145.61 130.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.16 128.4 37.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.6 tp -120.12 152.7 37.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.3 m -137.57 139.22 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.744 HG21 ' O ' ' A' ' 71' ' ' ARG . 48.3 t -108.53 134.36 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.49 120.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' CG ' ' HA ' ' A' ' 88' ' ' SER . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.706 0.211 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -155.01 127.95 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mt -89.12 98.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.767 HD12 ' CG2' ' A' ' 32' ' ' THR . 0.3 OUTLIER -81.51 -19.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -124.04 119.28 29.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 5.2 t80 -158.07 140.38 10.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.79 132.08 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 44.5 mt-10 -88.52 173.05 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 2.6 p-10 -37.24 111.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -130.6 171.33 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -115.66 169.47 9.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -159.43 139.2 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.1 mmt180 -80.03 113.76 18.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -35.11 110.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.64 6.62 30.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -95.23 -175.28 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 p -122.45 118.55 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -109.38 154.98 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.67 99.23 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 mt -103.0 101.69 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -120.36 141.46 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.81 109.58 1.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -67.56 126.09 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.762 HG11 HG11 ' A' ' 82' ' ' VAL . 17.8 m -106.81 145.49 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.767 ' CG2' HD12 ' A' ' 11' ' ' ILE . 2.1 p -105.83 -32.79 8.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.756 ' C ' HD11 ' A' ' 37' ' ' ILE . . . -38.96 161.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.9 m -63.91 134.17 54.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 25.8 mm-40 -86.97 156.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.3 Cg_endo -69.75 162.65 83.67 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.3 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.756 HD11 ' C ' ' A' ' 33' ' ' GLY . 51.0 mt -133.42 121.95 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.53 ' O ' HG12 ' A' ' 82' ' ' VAL . 21.1 m -64.16 157.5 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.482 ' SG ' HG12 ' A' ' 82' ' ' VAL . 72.8 m -150.01 126.06 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.3 m -137.39 113.86 10.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' HB3' HD12 ' A' ' 48' ' ' ILE . 64.5 m95 -89.66 119.99 30.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 79' ' ' THR . 13.6 mtm -132.65 135.99 46.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 58.55 45.79 15.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 63.07 30.16 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -127.91 111.85 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.52 127.17 26.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 41' ' ' TRP . 63.4 mt -78.61 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -105.08 118.42 36.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -49.59 135.93 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 t -175.04 165.27 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 68' ' ' LEU . 21.6 tp10 -53.1 -22.71 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -87.46 -37.05 17.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.5 mtp -133.66 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.6 mttm -96.82 167.44 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' C ' ' OE2' ' A' ' 57' ' ' GLU . 53.4 t -144.34 124.04 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.6 mp0 -112.22 106.04 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -92.39 133.74 35.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -165.4 168.17 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.8 OUTLIER -39.15 -70.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' GLU . 78.0 m-20 -35.07 -41.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.86 -134.7 4.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.1 t -131.0 150.99 51.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -133.21 128.92 36.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 55' ' ' LYS . 14.7 tp -108.04 99.88 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -88.91 116.11 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.67 ' HB ' HG12 ' A' ' 25' ' ' VAL . 74.2 mt -99.95 114.57 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.722 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.1 mm? -92.59 149.94 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.53 50.89 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.91 110.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.71 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.5 mtp85 -89.91 162.36 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -66.87 -6.76 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -95.44 -36.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -47.57 -31.5 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.64 121.17 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.86 -151.91 13.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 54.0 t -123.7 102.65 7.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.37 158.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' MET . 27.7 m -141.9 114.92 8.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.411 HD13 ' NE1' ' A' ' 41' ' ' TRP . 29.7 tp -92.58 108.28 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.73 115.75 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.762 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.08 99.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 32.8 mt-10 -102.12 153.31 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' HD13 ' A' ' 86' ' ' LEU . 9.2 p-10 -159.14 179.4 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -52.17 -42.78 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 86' ' ' LEU . 3.9 mp -67.47 -75.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.31 -142.68 3.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.452 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 12.8 p -157.56 155.24 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.446 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.9 tpt180 -138.03 156.4 47.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -141.84 125.7 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.78 -175.67 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -160.43 125.54 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.17 122.47 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.01 129.2 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 tp -119.61 143.98 47.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.8 m -126.63 133.44 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.71 HG21 ' O ' ' A' ' 71' ' ' ARG . 46.0 t -101.55 132.25 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.98 129.99 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.123 0 CA-C-O 120.75 0.229 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CG ' HG23 ' A' ' 32' ' ' THR . 4.3 pt20 -145.59 141.04 27.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 91' ' ' ALA . 21.1 mt -93.62 92.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.83 -21.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -128.1 128.48 44.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 8.3 t80 -162.17 139.75 6.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.69 132.45 23.48 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -86.56 -177.72 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.05 119.04 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.31 -178.93 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -130.01 167.77 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 p -157.21 132.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -71.4 119.69 15.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 113.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.412 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 103.21 11.9 32.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -97.25 -174.95 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.8 p -122.17 117.55 26.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.784 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -117.84 171.23 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' H ' HG22 ' A' ' 25' ' ' VAL . 9.8 pt-20 -161.29 109.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.62 115.49 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -114.6 133.29 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -117.92 97.5 0.73 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HB3' HD11 ' A' ' 11' ' ' ILE . 18.8 tttp -57.23 123.26 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.02 HG11 HG11 ' A' ' 82' ' ' VAL . 22.5 m -117.59 136.85 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.454 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.7 t -129.46 148.01 51.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.89 -103.54 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -149.47 108.16 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.171 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.2 mm-40 -68.17 154.63 93.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.69 160.51 87.68 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.356 -0.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -139.27 120.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -71.58 149.68 45.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 82' ' ' VAL . 61.4 m -148.92 108.94 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -119.0 148.9 42.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.57 ' HB3' HD12 ' A' ' 48' ' ' ILE . 59.0 m95 -112.61 126.52 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.3 mtm -137.12 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -155.56 118.61 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 63.85 38.15 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.9 mmm180 68.46 44.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 5.1 pttp -146.4 126.24 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -72.16 114.47 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.57 HD12 ' HB3' ' A' ' 41' ' ' TRP . 78.8 mt -61.39 140.05 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -100.44 125.92 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.42 139.32 49.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.1 p -174.4 168.66 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.6 -19.76 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 20.6 m-70 -88.51 -37.97 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 52.6 mtp -133.26 106.22 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -103.91 169.75 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -141.92 122.17 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -105.35 81.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.598 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -68.42 134.8 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -159.45 169.81 23.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -39.18 -42.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.563 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 171.27 -131.32 2.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 5.8 t -151.0 132.22 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.852 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -110.25 146.63 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 tp -125.1 96.72 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -84.41 139.77 32.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.784 ' HB ' HG12 ' A' ' 25' ' ' VAL . 82.4 mt -121.93 112.93 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.77 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -93.68 148.56 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 43.41 50.68 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.67 144.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.518 ' HE ' ' CE1' ' A' ' 74' ' ' HIS . 64.5 mtm180 -129.29 141.96 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' ARG . 6.8 tp60 -35.56 -37.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' HIS . 11.6 pt-20 -60.44 -47.01 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.518 ' CE1' ' HE ' ' A' ' 71' ' ' ARG . 12.0 m80 -37.4 -41.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -37.58 129.71 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.88 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.91 172.93 15.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.425 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.7 p -93.0 132.47 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -97.98 177.67 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -152.79 121.08 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.93 110.78 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 89' ' ' ARG . 25.4 tp -96.67 124.39 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.02 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -124.2 102.3 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 47.8 mt-10 -102.4 154.07 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 18.2 t30 -159.27 153.59 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -35.35 -40.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 85' ' ' LYS . 48.1 mt -70.86 -72.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.51 -154.96 6.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 34.5 p -149.19 162.62 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 81' ' ' LEU . 1.4 tpm_? -148.38 163.43 37.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -149.23 136.87 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.582 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -116.16 179.58 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -154.22 137.04 15.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.79 121.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.28 133.78 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 tp -126.99 147.17 50.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.8 m -135.09 139.43 44.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.6 t -107.45 138.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.46 122.37 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.2 t0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -161.71 144.92 12.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -126.38 130.32 50.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.56 -125.64 7.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m 43.58 47.98 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -84.0 -49.54 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . 172.61 168.52 34.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 32' ' ' THR . 54.2 Cg_endo -69.67 123.96 10.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.473 ' HG2' HG23 ' A' ' 32' ' ' THR . 6.9 pt20 -134.02 150.86 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.0 mt -104.5 97.27 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.79 -24.83 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -121.87 128.64 51.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.581 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.1 t80 -166.89 139.64 2.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.73 0.776 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.581 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 144.34 53.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 0.0 112.366 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -101.83 176.75 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -38.79 114.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -136.48 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -120.12 168.28 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.1 p -159.27 137.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 18.8 mmt85 -76.89 133.97 39.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.31 112.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.29 -20.62 25.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 20' ' ' ARG . 4.0 mm-40 -67.54 -175.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.7 p -127.71 123.45 35.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.75 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.6 p -114.48 155.9 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -131.92 102.52 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.0 mt -99.39 107.89 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -117.36 137.89 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -125.33 90.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HB3' HD11 ' A' ' 11' ' ' ILE . 33.3 tttt -49.98 133.24 22.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.057 HG11 HG11 ' A' ' 82' ' ' VAL . 34.6 m -125.67 140.63 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.473 HG23 ' HG2' ' A' ' 9' ' ' GLN . 1.9 t -126.85 152.83 46.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.44 -122.52 1.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.434 ' OG1' HD11 ' A' ' 86' ' ' LEU . 92.4 m -134.26 112.78 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.303 . . . . 0.0 111.141 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -73.68 155.52 89.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.11 88.47 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.377 -0.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.433 ' HB ' ' NE2' ' A' ' 35' ' ' GLN . 43.6 mt -136.57 126.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.7 m -80.53 144.27 32.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 p -146.41 124.02 11.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.6 m -125.63 141.89 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.593 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.9 m95 -107.98 113.91 27.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.38 172.56 9.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -152.1 132.53 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 47.02 47.38 15.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 61.3 43.46 10.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -153.19 110.45 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -54.82 130.18 39.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' A' ' 41' ' ' TRP . 61.0 mt -72.0 144.52 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -106.0 122.13 45.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -57.81 123.1 14.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.6 p -152.4 -175.75 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.75 1.45 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.464 ' CE1' ' HD2' ' A' ' 71' ' ' ARG . 9.6 m170 -112.38 -28.72 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.588 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 34.7 mtp -138.62 111.15 7.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -107.23 154.66 20.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.57 135.8 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -123.72 89.71 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -73.71 122.67 22.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 m -143.76 178.29 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -61.94 -63.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -40.45 -34.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.826 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 162.73 -154.33 25.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.526 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -126.56 138.25 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -117.62 146.1 43.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 tp -132.3 101.16 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -87.33 138.99 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.75 ' HB ' HG12 ' A' ' 25' ' ' VAL . 84.7 mt -119.61 98.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.11 145.2 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 51.34 50.1 19.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -36.5 121.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.856 ' O ' HG21 ' A' ' 97' ' ' VAL . 47.8 mtp85 -103.37 163.61 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -31.73 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.67 -31.59 59.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -51.66 -25.18 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.548 ' HB2' HG23 ' A' ' 97' ' ' VAL . 2.5 t -58.66 121.56 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.85 175.55 34.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.8 t -91.42 128.27 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 2.9 m-85 -97.62 178.3 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.0 m -155.2 115.65 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.3 tp -96.28 111.43 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -96.39 137.57 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.057 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -138.3 105.33 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.14 157.43 19.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 86' ' ' LEU . 8.0 t30 -166.94 155.01 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' ASN . 84.0 tttt -35.86 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' ASN . 96.0 mt -73.55 -74.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.94 -138.83 3.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 p -160.73 161.82 32.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.5 tpt180 -154.19 158.31 40.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -148.45 126.39 11.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.53 -179.84 4.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -153.98 140.8 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.16 135.74 11.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -91.61 141.63 28.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.1 tp -134.85 146.59 49.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.5 m -137.12 135.48 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.856 HG21 ' O ' ' A' ' 71' ' ' ARG . 30.7 t -102.64 131.23 51.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.48 122.86 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -95.13 12.61 28.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.72 153.19 38.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.625 0.726 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -169.84 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.306 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.46 149.25 61.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 164.41 34.62 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.743 2.295 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 150.11 67.91 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.734 2.29 . . . . 0.0 112.319 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -113.73 145.24 41.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.78 40.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.2 p -101.35 141.85 23.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 0.0 111.154 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.3 8.97 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.5 t 60.78 34.02 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -90.98 -94.85 1.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 m 55.58 38.9 30.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.4 p -113.35 128.14 56.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 64.68 40.79 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -85.9 135.66 33.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.24 147.68 7.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' HB2' HD21 ' A' ' 86' ' ' LEU . 88.8 p -123.45 98.12 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -101.05 -51.77 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.89 170.09 17.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.7 Cg_endo -69.75 145.79 58.31 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.308 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.534 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.7 pt20 -149.27 146.78 27.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 91' ' ' ALA . 28.1 mt -101.03 92.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -78.68 -26.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -123.03 125.08 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.5 t80 -160.29 139.5 7.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.8 130.44 19.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.262 . . . . 0.0 112.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -91.77 -179.76 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -38.97 117.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.2 pt20 -138.32 176.53 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -126.15 170.13 12.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.1 p -158.98 133.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ALA . 7.5 mmt85 -73.63 116.03 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.42 112.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.99 10.72 31.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.55 176.28 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.4 p -113.83 118.49 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.805 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.554 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -109.16 156.89 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -136.42 105.58 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 65' ' ' LEU . 38.5 mt -103.55 98.9 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' HB2' ' CE ' ' A' ' 64' ' ' LYS . 8.7 t80 -111.09 131.23 55.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.44 98.78 0.79 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HB3' HD11 ' A' ' 11' ' ' ILE . 31.6 tttt -57.78 127.75 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.038 HG11 HG11 ' A' ' 82' ' ' VAL . 34.2 m -119.73 141.05 41.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.534 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.7 t -133.51 148.88 51.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.1 -99.78 0.19 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' HD13 ' A' ' 86' ' ' LEU . 90.4 m -148.1 115.05 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.712 0.291 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.7 mm-40 -79.37 155.33 76.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.0 Cg_endo -69.69 159.96 88.59 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.385 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.1 mt -133.16 124.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.8 m -73.48 148.82 42.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' SG ' HG12 ' A' ' 82' ' ' VAL . 63.1 m -144.95 120.02 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.3 m -129.23 134.24 47.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.529 ' HB3' HD12 ' A' ' 48' ' ' ILE . 44.0 m95 -106.56 111.87 24.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mtm -118.43 173.68 6.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -153.6 128.17 9.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 54.06 48.04 21.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.1 mmt-85 58.73 40.98 22.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -152.54 114.53 4.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -51.69 141.32 16.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 41' ' ' TRP . 95.5 mt -83.17 145.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -101.12 120.91 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.29 128.87 39.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.4 p -171.44 161.6 6.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 68' ' ' LEU . 9.9 tp10 -45.89 -27.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -77.93 -41.84 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.0 mtp -135.01 101.12 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -98.72 165.18 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -139.19 141.27 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -123.52 82.55 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.506 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.18 119.81 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.2 m -142.87 178.51 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.29 -66.0 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -40.23 -39.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.552 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 166.43 -137.73 4.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -139.65 150.72 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' CE ' ' HB2' ' A' ' 28' ' ' PHE . 30.6 ttmt -128.17 154.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 27' ' ' LEU . 14.3 tp -131.49 97.22 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 m -88.26 119.27 28.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.554 ' HB ' HG12 ' A' ' 25' ' ' VAL . 76.6 mt -103.01 117.32 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.663 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.6 mm? -90.83 148.46 22.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.5 49.26 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.31 105.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.576 ' O ' HG21 ' A' ' 97' ' ' VAL . 34.8 mtp85 -87.06 166.17 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.84 -21.27 56.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 75' ' ' CYS . 10.5 pt-20 -77.94 -39.99 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -43.15 -27.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.42 ' N ' ' C ' ' A' ' 73' ' ' GLU . 2.0 t -54.34 134.51 45.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.49 -167.57 30.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.12 136.44 47.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.51 161.04 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.8 m -141.27 114.35 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 tp -95.41 114.25 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 89' ' ' ARG . 24.3 tp -103.34 127.93 50.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.038 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -126.12 103.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 31.8 mt-10 -106.23 153.98 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 8.2 p-10 -158.8 -179.11 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -52.78 -47.89 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 86' ' ' LEU . 5.9 mp -62.77 -75.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.04 -136.58 2.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.455 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 11.4 p -162.07 169.3 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.558 ' O ' HD12 ' A' ' 81' ' ' LEU . 24.4 tpt85 -152.2 159.81 43.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -145.4 123.29 11.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -108.48 173.33 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -146.22 154.34 41.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -158.95 141.99 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -99.31 140.39 33.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.454 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.9 tp -132.83 151.28 52.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 68.3 m -140.48 136.74 33.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 71' ' ' ARG . 40.5 t -104.81 138.86 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.08 126.28 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -102.13 16.26 26.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -166.93 152.73 7.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 133.23 25.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.09 145.02 39.02 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.556 0.693 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 138.93 39.1 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -167.03 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.617 2.212 . . . . 0.0 112.325 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.79 54.34 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -102.34 171.57 21.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.4 m -156.03 127.58 3.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 96.07 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.0 m -42.51 -51.57 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.77 149.54 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.439 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 130.98 20.2 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.322 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.4 t -125.07 134.33 52.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.4 m -55.55 -51.73 66.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -81.65 42.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -71.77 164.47 25.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.43 -156.23 9.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -78.98 125.1 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -126.27 137.44 53.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.97 168.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.5 Cg_endo -69.78 134.72 28.63 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.351 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.452 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.3 pt20 -140.49 156.6 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 91' ' ' ALA . 30.7 mt -108.67 95.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.94 -31.88 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.506 ' NE2' HG12 ' A' ' 11' ' ' ILE . 1.7 mp0 -123.39 133.51 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 24.3 t80 -168.76 139.42 1.99 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 138.76 38.42 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ASP . 50.7 mt-10 -100.24 174.97 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.3 p-10 -34.29 115.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -135.88 176.06 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -122.49 172.4 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 p -160.15 140.48 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' ALA . 13.2 mmt180 -79.92 112.43 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -34.15 110.17 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.18 11.9 24.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -103.81 176.64 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.5 p -112.67 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -112.21 148.89 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -130.52 103.91 6.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 65' ' ' LEU . 24.3 mt -103.14 98.58 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -105.59 129.48 53.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.5 92.36 0.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HB3' HD11 ' A' ' 11' ' ' ILE . 26.6 tttt -54.18 130.13 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.088 HG11 HG11 ' A' ' 82' ' ' VAL . 35.5 m -125.35 141.58 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.452 HG23 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -129.23 157.74 41.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.55 -114.18 0.65 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -138.14 112.73 8.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 35.2 mm-40 -75.26 155.15 86.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.583 0.706 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.78 159.51 89.62 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.328 -0.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 58.1 mt -134.41 120.64 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -68.36 149.07 49.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.601 ' SG ' HG12 ' A' ' 82' ' ' VAL . 74.7 m -147.91 108.71 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.0 m -118.06 130.95 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.406 ' NE1' HD13 ' A' ' 80' ' ' LEU . 39.7 m95 -101.25 119.42 38.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.1 mtm -126.16 170.92 11.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -152.77 122.65 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 64.12 40.75 6.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 63.67 32.36 13.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 128.7 23.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.82 132.65 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.78 149.97 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -107.61 120.96 43.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.25 132.06 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.3 p -173.9 165.91 4.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -51.16 -17.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -88.29 -38.97 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.583 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.1 mtp -137.07 105.1 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -101.5 165.5 11.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.77 125.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -105.28 77.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.58 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -68.18 122.49 18.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.4 m -152.42 160.55 43.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.813 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -40.97 -59.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.04 -40.79 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.541 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.82 -134.02 3.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -143.21 137.84 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.392 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -123.06 122.37 38.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 27' ' ' LEU . 8.8 tp -100.99 102.22 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.3 m -92.63 120.59 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.604 ' CG2' ' CE1' ' A' ' 74' ' ' HIS . 46.5 mt -104.08 121.97 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.686 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -93.45 151.3 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 41.3 54.51 3.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -36.78 110.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.955 ' O ' HG21 ' A' ' 97' ' ' VAL . 37.6 mtp85 -94.32 167.98 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -39.4 83.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 74' ' ' HIS . 1.1 pp20? -60.35 -45.57 92.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 27.0 m170 -36.28 -39.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.9 t -42.0 121.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 157.55 172.8 25.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 52.2 t -91.52 140.0 30.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.5 m-85 -110.4 178.92 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 91' ' ' ALA . 96.6 m -158.01 120.04 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD13 ' NE1' ' A' ' 41' ' ' TRP . 14.7 tp -100.35 100.65 11.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 90' ' ' GLN . 14.5 tp -87.56 123.22 32.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.088 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -120.79 107.57 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' LYS . 8.7 t30 -163.92 153.63 14.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' ASN . 54.9 tttt -36.78 -34.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.7 mt -72.72 -72.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.13 -142.01 3.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.1 p -158.79 167.3 29.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -159.23 167.86 27.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' HB3' HD12 ' A' ' 81' ' ' LEU . 14.7 pt20 -161.27 136.21 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' THR . . . -109.52 -175.07 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -154.53 125.09 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.2 p -137.21 129.32 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -88.4 145.53 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -131.43 154.0 49.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.9 m -145.05 136.47 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.955 HG21 ' O ' ' A' ' 71' ' ' ARG . 47.9 t -104.31 137.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.4 122.55 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 100' ' ' LYS . 10.8 t70 -90.0 8.21 33.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -146.55 148.15 32.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.423 ' HA ' ' NH1' ' A' ' 20' ' ' ARG . 54.1 Cg_endo -69.73 178.26 4.73 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.71 2.273 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.19 149.98 80.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 154.57 67.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.46 30.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.67 -52.17 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.1 -164.86 28.95 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.3 t -131.95 143.72 50.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 111.174 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.16 20.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.314 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.6 t -104.2 129.77 51.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.87 83.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.39 6.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.286 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.1 t -119.0 -61.88 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 m -65.06 90.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 p -51.54 105.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.909 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -55.4 119.34 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.92 154.84 25.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m 48.39 54.54 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -80.06 174.16 11.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.26 176.63 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 139.1 39.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.55 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.4 pt20 -142.0 150.23 41.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.624 HD13 ' HB2' ' A' ' 91' ' ' ALA . 19.5 mt -104.0 95.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -78.21 -25.48 14.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.27 126.1 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 t80 -161.64 139.61 6.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 132.67 23.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.383 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.72 -177.95 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.449 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 1.6 p-10 -43.81 111.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 2.8 pt20 -133.48 176.17 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -124.22 169.98 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.9 p -161.48 136.4 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.167 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -71.46 135.93 47.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.66 111.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.93 -16.0 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.54 -175.06 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.3 p -124.49 124.4 42.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.3 p -107.73 149.6 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -132.03 102.09 5.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.6 mt -102.93 105.62 16.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 19.3 t80 -113.83 133.31 55.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' HA3' ' CD2' ' A' ' 80' ' ' LEU . . . -115.09 88.51 0.47 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB3' HD11 ' A' ' 11' ' ' ILE . 44.5 tttt -50.02 139.19 14.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.929 HG11 HG11 ' A' ' 82' ' ' VAL . 27.7 m -132.03 144.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.55 HG23 ' CG ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -110.36 -76.76 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.132 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.85 -128.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.634 ' N ' HD11 ' A' ' 37' ' ' ILE . 94.3 m -141.82 112.05 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.79 0.328 . . . . 0.0 111.147 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.25 153.87 94.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.74 149.57 88.73 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.352 0.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.634 HD11 ' N ' ' A' ' 34' ' ' THR . 29.9 mt -132.52 129.3 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -76.04 141.93 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 1.7 m -136.74 128.66 29.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -132.66 144.02 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.452 ' HE1' ' HG ' ' A' ' 63' ' ' SER . 49.5 m95 -113.24 123.38 50.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -132.21 167.25 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -149.62 120.92 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 60.44 45.97 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 61.08 36.55 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -147.22 107.28 4.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -50.91 131.25 26.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 41' ' ' TRP . 81.9 mt -72.42 149.11 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -105.41 125.67 51.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.51 131.37 50.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -175.05 167.23 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.44 -22.53 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -82.73 -39.85 21.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 57.1 mtp -137.96 105.36 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -98.99 165.29 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.4 t -141.11 135.67 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -125.04 80.88 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.79 142.56 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.25 -178.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -48.04 -50.2 28.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -51.8 -39.58 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 153.76 -128.62 2.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 9.1 t -143.17 125.53 15.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.65 148.39 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.8 tp -127.56 98.64 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.8 m -91.92 112.16 23.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.692 ' HB ' HG12 ' A' ' 25' ' ' VAL . 96.2 mt -97.26 121.9 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -93.02 153.45 18.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 41.53 53.73 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.0 93.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ALA . 35.4 mtp85 -79.06 157.17 28.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -54.65 -15.88 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -83.5 -38.0 22.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -45.45 -27.76 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.59 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.44 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.2 t -54.88 118.03 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.18 41.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.53 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.86 127.74 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 6.2 m-85 -103.26 167.55 9.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 91' ' ' ALA . 41.5 m -149.5 116.29 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' CD2' ' HA3' ' A' ' 29' ' ' GLY . 12.2 tp -93.03 109.82 21.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 89' ' ' ARG . 23.0 tp -100.56 121.56 41.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.929 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -120.89 110.45 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.12 158.58 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.3 p-10 -163.21 -176.46 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -57.71 -37.08 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.93 -75.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.99 -145.38 4.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 p -151.56 174.0 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' O ' HD12 ' A' ' 81' ' ' LEU . 11.5 tpp180 -161.79 155.92 22.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -141.84 133.74 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -109.23 -178.15 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -155.6 131.25 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.03 136.67 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -101.46 135.78 42.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 13.4 tp -126.25 152.63 45.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.8 m -139.62 126.09 20.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 71' ' ' ARG . 26.8 t -95.45 134.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.52 116.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -87.85 11.05 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -151.81 153.94 32.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -179.53 2.99 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.37 149.99 86.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.59 0.709 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.53 51.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.75 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.228 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 58.58 44.71 17.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -156.48 -51.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 107' ' ' THR . 3.0 t -89.16 119.9 69.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.137 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -24.34 29.84 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.3 p -83.99 75.98 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -135.78 166.64 24.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -177.18 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.9 t -126.01 -50.28 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.4 p -90.16 86.64 6.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -127.45 126.71 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.5 p -128.77 164.44 23.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.1 -48.42 6.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -66.38 85.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -101.87 144.46 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . -46.13 173.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.4 Cg_endo -69.77 139.25 39.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.236 . . . . 0.0 112.327 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' CG ' HG23 ' A' ' 32' ' ' THR . 5.4 pt20 -143.83 144.37 31.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 mt -98.84 97.59 6.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.57 -23.8 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -123.41 124.71 43.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.585 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.4 t80 -160.34 139.9 8.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.585 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 131.27 20.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -86.04 -176.41 5.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -48.05 115.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -133.68 176.33 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -125.64 164.77 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 p -153.34 144.11 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 21' ' ' ALA . 2.2 mmt85 -84.64 114.67 22.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -37.12 111.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.04 2.63 31.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.71 -178.24 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.0 p -119.98 117.12 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -105.47 155.27 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -134.06 91.38 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.584 HD12 HD23 ' A' ' 65' ' ' LEU . 39.5 mt -91.39 113.06 25.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -120.91 135.92 55.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.69 95.36 0.46 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.524 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' HD11 ' A' ' 11' ' ' ILE . 25.8 tttp -56.19 134.41 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.971 HG11 HG11 ' A' ' 82' ' ' VAL . 34.8 m -125.22 142.59 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.5 t -132.72 153.74 50.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.4 -104.15 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.0 m -148.92 113.25 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 111.16 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.6 mm-40 -73.35 155.63 89.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.714 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.1 Cg_endo -69.84 161.1 87.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.318 0.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.7 mt -135.47 134.94 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.518 ' O ' HG12 ' A' ' 82' ' ' VAL . 7.3 m -86.46 156.05 20.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 63' ' ' SER . 3.7 m -153.64 109.87 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.9 m -119.64 128.28 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.578 ' HB3' HD12 ' A' ' 48' ' ' ILE . 71.7 m95 -96.26 118.27 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.1 mtm -131.94 162.64 30.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -145.1 136.95 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 51.21 43.06 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 63.64 26.69 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.58 111.42 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -55.74 137.08 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' A' ' 41' ' ' TRP . 82.7 mt -82.34 145.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.06 123.08 48.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -47.12 142.3 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.01 179.1 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -70.9 -2.77 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -114.3 -31.46 6.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.564 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' HG23 ' A' ' 48' ' ' ILE . 24.8 mtp -129.7 105.81 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.657 ' O ' HD12 ' A' ' 65' ' ' LEU . 31.9 mmtt -95.07 -179.07 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 55' ' ' LYS . 69.1 t -161.83 122.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -113.48 92.84 4.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -85.97 124.44 32.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 m -154.8 164.99 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -44.08 -63.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.17 -39.82 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.529 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 162.82 -152.23 22.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.2 t -131.97 136.91 47.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.407 . . . . 0.0 110.866 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 65' ' ' LEU . 34.4 ttmt -113.64 157.15 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 55' ' ' LYS . 21.1 tp -132.99 97.7 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -91.03 113.8 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.511 ' HB ' HG12 ' A' ' 25' ' ' VAL . 38.8 mt -98.74 118.77 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 68' ' ' LEU . 2.7 mm? -90.91 147.78 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.42 52.12 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.89 136.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.625 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.8 mtp85 -114.38 162.06 17.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -60.67 -21.52 62.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.29 -23.97 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -65.8 -13.64 59.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.14 118.75 12.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.12 -155.29 24.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.43 124.22 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -96.7 177.89 5.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.0 m -162.05 125.63 3.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -101.05 106.69 18.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.3 tp -94.55 116.65 29.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.971 HG11 HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -115.56 105.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 38' ' ' THR . 15.7 mt-10 -111.21 142.85 42.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.461 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 29.5 p-10 -149.84 -175.01 4.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.99 -32.03 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 43.0 mt -73.76 -74.87 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.74 -139.6 3.25 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 p -156.98 154.23 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.82 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.2 tpt180 -143.85 158.24 43.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -146.55 138.02 24.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 79' ' ' THR . . . -115.89 -176.98 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -156.48 125.75 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -133.72 124.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.79 135.99 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -127.74 153.71 46.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.5 m -140.72 127.44 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.625 HG21 ' O ' ' A' ' 71' ' ' ARG . 47.3 t -99.58 130.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.81 129.63 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -102.23 18.55 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -123.89 149.72 60.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.546 0.688 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.13 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -65.04 151.07 94.38 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 164.7 33.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.728 2.286 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 168.54 21.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.19 111.74 24.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.96 -78.02 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.2 p -75.1 143.7 77.75 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 111.157 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.6 t -151.84 142.53 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.12 -170.91 29.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.64 19.66 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.8 m -69.44 168.74 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.0 p -117.24 161.98 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -111.05 -57.2 2.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -124.31 -62.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.8 -99.79 2.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -60.14 96.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.374 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -115.43 -61.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.62 166.02 31.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 138.38 37.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.548 ' CG ' HG23 ' A' ' 32' ' ' THR . 19.7 pt20 -144.32 150.79 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.2 mt -106.27 98.98 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.683 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.91 -26.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -121.22 121.39 37.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.5 t80 -157.76 139.61 10.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 132.33 23.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -88.79 176.66 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.37 119.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -139.33 173.11 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -121.32 166.6 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 p -158.08 141.05 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -75.67 135.55 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.0 111.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.25 -17.26 19.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.63 -174.99 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.3 m -128.99 132.39 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.509 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -117.09 152.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -127.28 88.94 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -87.87 100.92 13.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -111.0 131.09 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.08 100.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -60.61 126.24 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.108 HG11 HG11 ' A' ' 82' ' ' VAL . 34.3 m -117.68 140.95 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.548 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.3 t -127.15 151.44 48.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.38 -116.88 0.75 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.4 m -134.65 104.36 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.523 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.23 154.32 95.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.82 160.57 87.97 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.323 0.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.0 mt -137.63 123.0 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 82' ' ' VAL . 8.5 m -65.21 148.06 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.3 m -146.73 109.7 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 83.6 m -123.75 139.93 53.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.644 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.6 m95 -108.14 121.79 45.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.8 mtm -128.25 165.38 20.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -144.2 116.28 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 63.52 40.01 8.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 67.9 43.4 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 15.1 pttt -144.75 125.64 14.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -68.66 113.87 6.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 41' ' ' TRP . 92.5 mt -58.49 142.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -100.86 124.46 46.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.36 127.17 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.8 p -164.28 175.73 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -63.44 -6.2 4.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -101.28 -36.58 8.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.2 mtp -135.77 105.18 6.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -103.12 165.75 10.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -140.95 127.9 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -110.81 82.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.4 118.68 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.4 m -136.74 177.05 8.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.13 -60.75 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -45.71 -37.44 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.65 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 171.63 -138.22 4.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -143.57 145.56 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -120.69 139.43 53.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -119.47 95.23 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -83.77 122.74 29.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.509 ' HB ' HG12 ' A' ' 25' ' ' VAL . 51.4 mt -106.35 102.73 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.674 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.5 mm? -82.55 144.23 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 50.02 51.85 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -37.6 106.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.929 ' O ' HG21 ' A' ' 97' ' ' VAL . 33.6 mtp180 -87.07 177.34 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -72.63 -32.16 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' CYS . 0.9 OUTLIER -66.77 -44.22 81.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -40.26 -31.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.603 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' GLU . 13.4 t -50.69 111.76 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.08 -168.63 41.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.515 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.4 t -105.64 122.34 45.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -92.34 175.88 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -156.76 121.7 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 tp -99.1 105.55 17.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 89' ' ' ARG . 26.6 tp -94.08 120.63 34.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.108 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -120.0 106.64 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -105.55 148.05 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.6 t30 -154.01 155.42 35.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -35.63 -38.71 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.08 -74.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.21 -134.56 2.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 p -166.66 159.41 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.9 tpt180 -144.37 160.65 40.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -144.97 141.9 29.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 92' ' ' GLN . . . -119.45 -179.12 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' CG ' ' O ' ' A' ' 91' ' ' ALA . 67.8 mt-30 -159.01 121.81 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.49 123.25 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -81.03 140.39 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 tp -130.7 157.59 42.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.6 m -145.64 134.22 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.929 HG21 ' O ' ' A' ' 71' ' ' ARG . 39.8 t -103.04 135.61 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.99 113.35 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -88.15 13.83 10.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -149.06 151.18 33.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 144.25 53.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.4 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 2.4 t70 -117.82 140.0 27.14 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.562 0.696 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 53.6 Cg_endo -69.81 165.94 29.34 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 132.48 23.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.734 2.289 . . . . 0.0 112.293 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.54 131.84 46.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -43.22 129.25 5.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.39 126.83 14.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.551 0.691 . . . . 0.0 111.188 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.91 7.57 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.734 2.289 . . . . 0.0 112.324 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.7 t -78.92 173.16 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -147.9 120.5 1.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.553 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.393 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -149.37 165.58 31.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.9 t -38.76 145.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 m -146.56 112.69 5.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -110.55 173.43 6.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.76 52.48 0.57 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -64.35 84.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.9 p -82.74 138.18 34.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . -49.47 175.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.9 Cg_endo -69.73 134.58 28.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.351 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -143.86 147.71 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 91' ' ' ALA . 18.1 mt -101.41 98.03 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.652 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.8 -25.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.96 132.01 54.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 t80 -162.5 140.63 6.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.7 128.74 16.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.236 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -81.43 169.39 17.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 4.1 p-10 -40.0 109.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -124.74 165.67 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.15 167.23 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.9 p -157.78 136.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.0 mmt85 -77.69 114.11 16.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ARG . . . -36.68 113.87 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.13 38.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -98.89 174.97 6.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.0 p -107.3 120.34 41.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.766 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -118.5 170.43 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.486 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.7 pp20? -158.74 129.48 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.31 109.69 15.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -111.33 128.85 56.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.51 96.37 0.72 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HB3' HD11 ' A' ' 11' ' ' ILE . 31.5 tttp -54.87 127.34 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.042 HG11 HG11 ' A' ' 82' ' ' VAL . 34.7 m -120.1 141.2 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 5.1 t -128.52 155.24 45.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.59 -106.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -147.57 106.79 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.516 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 44.9 mm-40 -67.02 155.08 91.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.1 Cg_endo -69.73 160.91 87.16 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.355 -0.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.1 mt -135.75 120.6 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 39' ' ' CYS . 94.0 m -70.94 153.08 42.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' N ' HG22 ' A' ' 38' ' ' THR . 7.1 m -152.54 106.21 3.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 m -120.63 135.03 55.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.656 ' HB3' HD12 ' A' ' 48' ' ' ILE . 63.3 m95 -101.45 126.48 48.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.4 mtm -129.74 140.76 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.553 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 31.0 tptt -110.35 131.54 54.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 47.5 46.91 17.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 63.16 27.89 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -132.08 111.83 11.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -45.64 121.93 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 41' ' ' TRP . 98.9 mt -69.0 147.13 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -106.82 116.83 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -49.84 137.04 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -175.21 165.03 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.537 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.9 tp10 -52.47 -24.72 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -82.8 -39.31 21.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 39.8 mtp -133.35 103.61 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -102.6 166.57 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -140.55 130.87 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -115.94 83.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -67.43 138.03 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -161.43 168.09 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 10.5 tt0 -52.64 -59.43 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -45.53 -38.44 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 165.18 -132.56 2.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.8 t -146.75 143.15 28.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -122.43 125.69 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.49 100.14 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 m -87.3 133.52 33.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.766 ' HB ' HG12 ' A' ' 25' ' ' VAL . 84.5 mt -116.12 115.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.766 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -94.07 149.8 20.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 42.14 41.77 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.3 127.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 97' ' ' VAL . 31.7 mtp85 -102.19 169.83 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -65.58 -9.69 28.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -90.1 -27.59 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -56.33 -30.04 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.606 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.401 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.9 t -57.33 125.4 22.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 -139.56 5.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.447 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 36.7 m -134.29 112.45 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 78.0 m-85 -84.15 173.33 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -148.77 112.74 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 41' ' ' TRP . 20.4 tp -95.81 114.73 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 89' ' ' ARG . 18.5 tp -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.042 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -134.83 99.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' OE2' HD21 ' A' ' 81' ' ' LEU . 43.5 mt-10 -101.34 147.0 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.8 t30 -152.63 153.07 32.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 29.6 ttpt -34.69 -36.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CB ' ' HA2' ' A' ' 7' ' ' GLY . 85.0 mt -70.07 -73.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.21 -133.01 2.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.526 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 p -166.37 168.08 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.483 ' HB3' HG23 ' A' ' 82' ' ' VAL . 7.7 tpt85 -157.46 160.86 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 14.2 pt20 -148.41 122.71 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -106.83 174.76 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.458 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.8 mp0 -149.52 144.45 26.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.9 p -147.95 131.93 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.36 136.57 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.9 tp -128.74 135.99 49.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -118.21 129.17 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 71' ' ' ARG . 53.3 t -101.25 136.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.6 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -94.66 10.55 34.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -142.57 142.8 24.13 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.684 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.87 29.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.367 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -97.15 147.74 33.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.623 0.725 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.93 20.15 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.325 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 143.37 50.72 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -172.91 148.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.24 -139.34 10.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 p -54.2 143.03 46.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.554 0.693 . . . . 0.0 111.189 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.75 107.42 1.85 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 108' ' ' PRO . 28.5 t -38.29 145.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -171.91 82.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.66 21.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.8 p -76.39 165.45 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -130.75 42.46 3.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -114.46 128.55 56.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.807 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -103.48 133.13 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.02 -107.09 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.5 p -124.02 97.24 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.895 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' GLY . 46.5 p -100.28 137.61 38.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . -45.17 172.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 144.79 55.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' HG3' HG23 ' A' ' 32' ' ' THR . 4.7 pt20 -149.61 137.57 20.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 91' ' ' ALA . 16.4 mt -92.65 98.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.637 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.6 -24.37 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -121.44 123.32 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 5.9 t80 -157.68 140.07 10.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.83 129.89 18.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.611 2.207 . . . . 0.0 112.324 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 16' ' ' ASP . 80.7 mt-10 -84.8 167.01 16.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.4 p-10 -34.77 110.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -124.12 -179.83 4.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.6 162.85 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.85 139.72 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 10.1 mmt85 -76.87 110.73 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -34.7 106.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.01 11.1 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -101.44 -179.37 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.9 p -109.7 121.89 46.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.807 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -122.23 175.4 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.601 ' H ' HG22 ' A' ' 25' ' ' VAL . 2.4 pp20? -165.45 128.37 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.402 HD12 HD23 ' A' ' 65' ' ' LEU . 20.3 mt -119.71 111.05 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -115.41 124.3 50.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.14 99.56 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -57.59 122.06 11.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.046 HG11 HG11 ' A' ' 82' ' ' VAL . 34.9 m -112.5 140.21 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 9' ' ' GLN . 1.8 t -127.97 148.7 50.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.53 -114.66 0.62 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.661 ' OG1' HD11 ' A' ' 86' ' ' LEU . 45.5 m -136.63 110.88 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 111.185 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.4 mm-40 -71.22 155.21 93.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.593 0.711 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.2 Cg_endo -69.77 160.96 87.17 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 -1.78 . . . . 0.0 112.335 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.1 mt -134.68 123.14 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 4.0 m -73.85 151.8 40.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -149.73 115.94 5.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -132.11 145.64 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.552 ' HB3' HD12 ' A' ' 48' ' ' ILE . 66.2 m95 -112.3 131.62 55.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.423 ' CB ' ' HA ' ' A' ' 47' ' ' GLN . 4.9 mtm -136.72 136.3 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -106.29 148.92 27.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 37.58 49.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 56.79 39.03 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . 46.2 tttm -150.23 111.93 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 42' ' ' MET . 15.0 tt0 -37.45 139.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 41' ' ' TRP . 90.2 mt -84.28 154.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' N ' HG22 ' A' ' 48' ' ' ILE . 8.5 pt20 -107.74 131.69 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.59 131.25 42.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -165.19 -175.39 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.62 3.54 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.656 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 19.2 m-70 -115.15 -29.58 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 29.1 mtp -138.7 109.16 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' HD12 ' A' ' 65' ' ' LEU . 12.2 mttp -104.76 172.82 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -147.16 128.94 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -120.05 91.89 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -80.13 133.72 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -157.13 172.45 18.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 35.0 tt0 -53.4 -60.09 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -46.02 -37.3 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.61 -132.86 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.448 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -150.46 135.58 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -111.26 137.9 48.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 55' ' ' LYS . 13.1 tp -116.34 96.36 5.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.2 m -86.01 135.12 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.807 ' HB ' HG12 ' A' ' 25' ' ' VAL . 81.4 mt -119.08 121.07 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.603 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.8 mm? -96.58 150.1 21.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.656 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 33.95 40.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HA ' ' ND1' ' A' ' 74' ' ' HIS . . . -33.71 138.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.549 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -103.88 176.18 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -67.62 -26.25 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.4 pp20? -70.67 -43.74 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.476 ' ND1' ' HA ' ' A' ' 70' ' ' ALA . 23.2 m170 -37.7 -38.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.6 t -43.8 117.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.02 -146.64 9.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.4 p -128.35 113.07 15.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.57 ' CD2' ' HD3' ' A' ' 43' ' ' LYS . 55.7 m-85 -85.7 143.3 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.6 m -126.89 114.89 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 tp -93.04 106.19 18.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 89' ' ' ARG . 27.3 tp -90.8 125.97 35.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.046 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -123.42 103.32 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 38' ' ' THR . 39.1 mt-10 -110.17 143.69 39.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.61 HD21 HD12 ' A' ' 86' ' ' LEU . 24.2 p-10 -149.11 -175.23 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -60.45 -24.53 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD11 ' OG1' ' A' ' 34' ' ' THR . 70.6 mt -79.71 -73.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.51 -131.49 2.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.9 p -163.55 150.53 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.518 ' HB3' HG23 ' A' ' 82' ' ' VAL . 5.0 tpt180 -140.84 155.93 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -141.38 135.11 30.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -112.05 178.72 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -154.95 118.43 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 13' ' ' PHE . 1.2 p -127.48 129.77 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -84.79 140.17 31.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -134.25 133.1 40.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.4 m -121.43 135.03 55.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.667 HG12 ' HB2' ' A' ' 21' ' ' ALA . 55.7 t -106.27 132.08 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.46 132.92 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -106.91 18.96 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 101' ' ' PRO . 0.2 OUTLIER -169.65 143.22 2.17 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.541 0.686 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.41 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 53.6 Cg_endo -69.78 135.49 30.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.66 148.26 36.94 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.61 0.719 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.8 69.54 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.402 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 127.34 14.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -86.79 89.58 8.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.34 -154.84 15.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.7 t -131.97 143.48 49.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 111.166 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 80.64 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.719 2.279 . . . . 0.0 112.367 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.5 t -71.41 112.2 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 46.67 78.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.98 27.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.6 p -106.76 137.42 44.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.6 m -159.58 138.49 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -151.58 114.37 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -125.54 110.33 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.67 -82.04 1.62 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -104.4 67.91 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 m -126.01 84.55 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.522 ' H ' HD13 ' A' ' 86' ' ' LEU . . . 58.38 153.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.32 59.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.63 2.22 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.28 145.07 28.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mt -101.91 100.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.78 -23.46 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.46 123.38 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.7 t80 -161.32 139.62 7.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.677 0.751 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 125.34 12.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ASP . 4.6 mm-40 -86.01 172.1 10.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -36.6 113.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -131.29 178.58 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -123.22 168.03 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.12 145.69 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mmt-85 -81.14 121.77 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -43.68 106.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.78 3.59 25.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.62 174.79 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.1 m -111.61 113.23 25.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.747 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -108.51 176.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.653 ' H ' HG22 ' A' ' 25' ' ' VAL . 3.5 pt-20 -169.09 105.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.504 ' O ' ' CZ2' ' A' ' 41' ' ' TRP . 15.1 mt -97.06 117.07 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -117.34 135.26 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.03 101.41 0.87 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -62.56 130.32 44.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.973 HG11 HG11 ' A' ' 82' ' ' VAL . 27.8 m -121.03 140.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -105.09 -76.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.67 -130.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.732 ' N ' HD11 ' A' ' 37' ' ' ILE . 23.9 m -132.26 99.5 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.554 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -67.17 150.97 97.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.879 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 54.3 Cg_endo -69.76 145.83 80.51 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.375 -0.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.732 HD11 ' N ' ' A' ' 34' ' ' THR . 26.2 mt -126.36 148.24 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 39' ' ' CYS . 31.2 m -83.11 154.12 24.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 38' ' ' THR . 18.0 m -149.17 129.64 13.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.6 m -137.09 142.6 42.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.504 ' CZ2' ' O ' ' A' ' 27' ' ' LEU . 61.7 m95 -109.53 125.93 53.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.9 mtm -137.75 152.25 49.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.579 ' HZ2' ' N ' ' A' ' 77' ' ' CYS . 25.4 tttp -131.76 134.2 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 53.64 41.92 31.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 60.53 43.03 13.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -155.37 105.52 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -38.96 134.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 49' ' ' GLN . 81.1 mt -73.41 156.65 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' N ' HG22 ' A' ' 48' ' ' ILE . 84.1 mt-30 -108.79 119.63 40.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.44 128.13 35.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -165.77 -175.71 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -70.95 -8.61 54.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -34.77 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.567 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.05 105.13 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.7 mttm -100.97 171.85 7.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.7 t -145.93 128.3 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -110.99 81.37 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.55 129.74 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.8 m -154.99 172.51 17.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 2.3 tp10 -56.71 -66.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.3 m-20 -38.12 -41.84 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 170.78 -136.69 4.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.5 t -145.33 143.27 30.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -120.23 148.85 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 55' ' ' LYS . 15.7 tp -127.88 100.59 5.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 25' ' ' VAL . 30.7 m -91.12 127.99 36.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.747 ' HB ' HG12 ' A' ' 25' ' ' VAL . 91.4 mt -110.21 118.33 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.672 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.6 mm? -89.74 149.42 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 37.66 40.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.91 101.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -73.65 -174.96 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -75.89 -29.4 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' HIS . 14.1 pt-20 -69.84 -41.6 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' GLU . 19.6 m80 -36.84 -41.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -42.1 126.82 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.76 -140.06 5.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.579 ' N ' ' HZ2' ' A' ' 43' ' ' LYS . 19.5 p -137.83 122.51 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -95.0 173.23 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 91' ' ' ALA . 54.5 m -158.27 112.74 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 tp -91.87 116.35 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.6 tp -102.5 119.88 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.973 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -118.67 102.53 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 46.1 mt-10 -104.34 162.97 12.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 87' ' ' GLY . 18.7 p-10 -165.74 -175.06 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -59.95 -32.0 70.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD13 ' H ' ' A' ' 7' ' ' GLY . 84.6 mt -76.89 -75.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.13 -135.98 2.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.406 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 16.6 p -163.4 154.11 16.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.439 ' HB3' HG23 ' A' ' 82' ' ' VAL . 6.9 tpt85 -136.72 154.88 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -140.56 136.0 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 79' ' ' THR . . . -114.32 179.37 3.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -156.38 122.03 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.8 p -134.05 128.24 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -88.7 140.39 29.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -126.83 139.53 53.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.3 m -124.96 121.45 34.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 71' ' ' ARG . 19.3 t -93.05 132.26 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.75 119.22 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -98.61 17.14 19.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -60.16 145.36 85.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.693 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 154.54 67.69 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.07 140.49 98.06 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 160.55 49.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.44 40.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.3 77.8 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.5 159.05 10.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.439 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 109' ' ' SER . 2.1 m -109.01 119.49 48.66 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.588 0.708 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 109' ' ' SER . 53.9 Cg_endo -69.69 -6.27 18.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 108' ' ' PRO . 97.1 p -36.04 -40.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 165.39 140.91 2.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 152.28 68.89 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -77.52 162.96 26.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.4 t -118.13 151.81 36.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.528 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -91.8 115.5 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -48.45 -59.48 3.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.67 -141.02 3.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -63.13 121.83 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.482 ' C ' HD13 ' A' ' 86' ' ' LEU . 5.8 t -125.29 -63.63 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' HA2' ' CB ' ' A' ' 86' ' ' LEU . . . 176.74 166.61 34.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 135.86 31.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.314 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.533 ' CG ' HG23 ' A' ' 32' ' ' THR . 14.0 pt20 -143.47 151.34 40.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 mt -105.14 96.94 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.67 -27.62 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -120.43 128.62 53.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 13.6 t80 -167.79 139.34 2.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.653 0.74 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.584 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.77 147.47 62.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ASP . 18.5 mt-10 -107.82 175.49 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -34.51 111.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG3' ' CD1' ' A' ' 95' ' ' LEU . 3.5 pt20 -133.7 175.45 9.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -125.78 163.66 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 p -155.16 137.17 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HD3' HG23 ' A' ' 98' ' ' VAL . 25.1 mmt85 -71.67 132.88 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.18 111.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.0 14.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.458 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.9 -175.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.7 p -125.51 130.14 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.9 p -113.45 149.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -128.72 94.95 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.7 mt -93.41 108.62 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -115.65 133.96 55.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.02 94.17 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -55.68 137.87 48.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.056 HG11 HG11 ' A' ' 82' ' ' VAL . 28.0 m -127.37 144.8 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.533 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.8 t -135.29 150.46 50.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.16 -98.4 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.0 m -153.34 107.21 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 41.2 mm-40 -69.69 154.9 94.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.4 Cg_endo -69.77 160.74 87.54 Favored 'Cis proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 -1.791 . . . . 0.0 112.346 0.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.7 mt -137.62 118.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.2 m -72.1 151.5 43.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 82' ' ' VAL . 7.5 m -151.46 122.99 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.3 m -131.46 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.528 ' HB3' HD12 ' A' ' 48' ' ' ILE . 52.4 m95 -100.88 124.22 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -129.3 163.09 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -140.68 117.73 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 64.45 43.4 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 63.95 36.48 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -139.85 128.79 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.41 125.07 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.528 HD12 ' HB3' ' A' ' 41' ' ' TRP . 73.8 mt -70.87 151.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -108.76 124.05 49.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -61.61 131.06 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.5 t -175.2 166.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 68' ' ' LEU . 36.8 tt0 -50.94 -24.25 3.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -80.39 -40.76 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 mtp -137.66 105.56 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -100.73 170.29 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -147.46 133.24 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -113.92 83.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.476 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -70.2 125.56 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.3 m -155.2 163.16 40.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HG3' ' CD ' ' A' ' 35' ' ' GLN . 24.4 tt0 -45.96 -60.04 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -40.72 -41.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 163.95 -141.43 7.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -136.89 140.2 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -120.54 151.87 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.2 tp -128.59 98.83 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -89.91 116.97 28.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.691 ' HB ' HG12 ' A' ' 25' ' ' VAL . 90.9 mt -101.68 121.86 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.69 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -94.71 154.36 17.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 39.19 53.77 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.7 101.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.578 ' O ' HG21 ' A' ' 97' ' ' VAL . 28.6 mtp85 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -65.79 -19.11 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -82.42 -28.99 31.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -56.78 -32.41 65.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.597 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.2 t -46.87 136.68 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.52 -177.32 23.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.5 t -97.63 142.7 29.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.355 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -110.89 177.66 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.2 m -152.4 108.67 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -90.95 113.49 25.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.8 tp -98.88 138.8 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.056 HG11 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -137.7 105.06 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -110.66 149.78 29.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 7.9 p-10 -154.64 179.01 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -54.44 -36.95 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 6' ' ' SER . 38.0 mt -68.52 -75.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.7 -132.39 2.42 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.434 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.2 p -163.67 158.39 20.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB3' HG23 ' A' ' 82' ' ' VAL . 3.4 tpm_? -148.51 163.58 36.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -154.45 125.91 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' C ' ' CD ' ' A' ' 92' ' ' GLN . . . -110.04 179.65 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.473 ' CD ' ' C ' ' A' ' 91' ' ' ALA . 7.5 mp0 -150.73 150.96 31.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -156.04 123.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.96 142.01 38.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.8 tp -136.78 148.11 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.3 m -136.43 147.41 47.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 71' ' ' ARG . 50.0 t -114.9 131.11 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.468 HG23 ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -124.9 118.12 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -93.62 16.08 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -49.64 143.29 11.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.54 0.686 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 166.84 26.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -76.05 155.86 84.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.62 7.37 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 116.31 4.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.8 142.66 32.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.05 -74.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.3 t -45.51 142.37 3.36 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.549 0.69 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 154.61 67.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 t -61.92 -37.55 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -148.16 86.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 158.6 56.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.736 2.291 . . . . 0.0 112.287 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.3 m -133.64 126.4 30.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.5 p -92.52 131.12 37.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -154.25 169.1 24.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -129.35 151.61 49.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.92 120.93 1.06 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.493 ' O ' HD22 ' A' ' 86' ' ' LEU . 89.2 p -94.33 47.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -98.64 -36.37 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.07 168.22 34.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 151.72 69.05 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' HG3' HG23 ' A' ' 32' ' ' THR . 4.0 pt20 -153.43 141.12 19.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.8 mt -98.64 99.28 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.607 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.37 -23.63 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -123.79 123.99 41.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -159.05 139.86 9.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 125.83 12.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.29 173.82 10.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -39.24 119.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -141.1 170.58 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.39 173.92 6.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 p -162.97 132.22 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -73.1 122.94 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -45.07 112.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.79 -4.56 30.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.14 -176.08 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.907 0.384 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 m -122.11 112.29 18.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.753 HG12 ' HB ' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -109.12 167.72 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.096 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 1.4 pm0 -159.45 120.63 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -109.85 116.97 32.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -122.1 123.68 42.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.58 102.66 1.73 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HB3' HD11 ' A' ' 11' ' ' ILE . 27.2 tttp -61.84 133.32 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 82' ' ' VAL . 27.5 m -123.69 143.75 35.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -111.64 -76.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 32.58 -112.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.794 ' H ' HD11 ' A' ' 37' ' ' ILE . 53.9 m -157.81 109.77 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.659 0.266 . . . . 0.0 111.192 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.54 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 36.5 mm-40 -68.19 153.42 95.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.58 0.705 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.76 153.82 93.08 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.339 -0.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.794 HD11 ' H ' ' A' ' 34' ' ' THR . 48.6 mt -138.15 128.35 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 m -76.49 146.83 38.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 82' ' ' VAL . 40.3 m -141.56 123.73 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.5 m -127.77 144.09 51.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -112.99 124.86 53.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.8 mtm -131.01 165.89 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -146.94 115.87 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 63.89 46.43 3.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? 61.47 41.52 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -153.3 112.09 3.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.75 129.77 30.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.4 mt -73.36 150.6 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -107.02 128.47 54.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.45 133.67 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -175.21 172.62 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 68' ' ' LEU . 27.6 tt0 -56.39 -27.8 57.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -78.22 -40.95 35.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 62.7 mtp -135.62 104.25 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -97.94 161.58 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.4 t -140.02 129.8 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -118.3 85.83 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -72.01 134.56 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -158.68 167.61 29.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 1.4 tp10 -47.92 -63.42 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -39.23 -41.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 164.85 -145.78 10.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 11.1 t -127.8 142.64 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -122.69 147.52 46.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.6 tp -133.46 104.41 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 25' ' ' VAL . 9.7 m -93.95 138.0 32.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.753 ' HB ' HG12 ' A' ' 25' ' ' VAL . 80.8 mt -117.6 116.69 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.696 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -92.02 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.5 46.43 8.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.19 105.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.728 ' O ' HG21 ' A' ' 97' ' ' VAL . 41.5 mtp85 -85.77 168.02 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -62.8 -27.3 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' HIS . 23.7 pt-20 -73.48 -40.82 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' GLU . 10.3 m80 -39.36 -41.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.496 ' HB2' HG23 ' A' ' 97' ' ' VAL . 25.3 t -45.07 130.34 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.18 -137.14 4.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.2 p -138.09 131.93 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -109.23 163.73 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -146.7 123.83 11.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 tp -101.27 105.3 16.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.1 tp -94.2 120.08 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 31' ' ' VAL . 3.1 m -117.83 115.17 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -117.27 146.23 43.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 25.1 p-10 -149.15 -176.66 5.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -30.96 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 5' ' ' SER . 97.7 mt -75.5 -75.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.8 -130.77 2.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.4 p -163.25 168.65 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 16.7 tpt180 -156.24 158.82 38.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -145.36 129.56 17.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.3 -178.95 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -155.27 131.5 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.6 p -142.19 131.54 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -94.45 141.75 28.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -133.3 150.48 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.0 m -137.01 135.19 37.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.728 HG21 ' O ' ' A' ' 71' ' ' ARG . 33.0 t -101.67 136.08 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.0 126.32 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -100.28 17.81 20.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -65.53 143.22 98.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.45 45.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -89.41 154.21 48.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.734 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 130.99 20.25 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 111.28 2.76 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.78 157.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -169.0 104.32 0.21 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.9 p -118.7 128.19 26.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.86 38.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 73.9 p -81.85 153.36 26.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.71 -72.8 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 91.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.747 2.298 . . . . 0.0 112.318 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.5 p -76.2 147.0 38.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.8 m -49.66 -45.61 48.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 m -119.34 142.88 47.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -150.59 168.07 25.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.819 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.01 -122.59 7.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.683 ' HB3' HD21 ' A' ' 86' ' ' LEU . 16.1 m -122.6 94.08 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.866 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -105.75 -32.64 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.84 170.43 12.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.4 Cg_endo -69.8 136.16 32.2 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.328 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' CG ' HG23 ' A' ' 32' ' ' THR . 12.0 pt20 -148.12 146.57 28.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 91' ' ' ALA . 18.2 mt -98.16 95.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.681 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.31 -26.31 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -125.04 130.38 52.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 10.0 t80 -165.31 139.56 3.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 137.4 35.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -96.46 -176.9 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -43.89 113.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -133.08 172.26 12.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -117.91 169.35 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -159.86 131.76 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 12.4 mmt85 -73.89 117.23 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -37.72 113.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.09 12.84 30.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -100.54 -178.24 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.2 p -115.8 119.76 37.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.774 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -115.69 150.3 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -134.68 106.32 6.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 HD23 ' A' ' 65' ' ' LEU . 37.9 mt -101.36 96.25 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -105.07 131.11 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.31 96.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -56.2 134.75 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.081 HG11 HG11 ' A' ' 82' ' ' VAL . 36.0 m -126.83 145.62 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 9' ' ' GLN . 2.6 t -137.49 145.67 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.4 -99.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.455 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 72.4 m -156.72 105.45 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 111.168 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.545 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 30.9 mm-40 -65.96 154.34 89.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.718 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.74 160.9 87.17 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.331 -0.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.8 mt -138.78 126.28 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 m -79.72 146.38 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.662 ' SG ' HG12 ' A' ' 82' ' ' VAL . 58.1 m -141.07 128.77 21.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 m -129.31 134.43 47.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -107.42 109.29 20.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.6 mtm -117.94 172.34 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' NZ ' ' CZ ' ' A' ' 78' ' ' TYR . 18.2 tttp -154.51 121.1 5.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 60.24 45.24 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 60.71 42.68 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -156.16 110.72 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -47.84 130.79 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.3 mt -75.05 141.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -97.09 126.12 42.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -60.71 136.92 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -175.4 162.33 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.653 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.1 pt-20 -48.83 -28.25 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -80.66 -39.41 27.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.2 mtp -132.57 97.55 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 31.5 mtmt -93.04 -179.32 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -151.85 130.53 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.03 85.28 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -84.01 145.94 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -173.09 -176.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -50.96 -48.35 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 8.5 m-80 -53.36 -38.28 63.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.47 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 153.99 -127.55 2.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -142.17 136.56 30.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.428 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -120.83 153.63 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 55' ' ' LYS . 15.4 tp -131.28 97.92 4.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 m -87.09 119.09 26.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.774 ' HB ' HG12 ' A' ' 25' ' ' VAL . 99.2 mt -102.67 113.92 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 52' ' ' GLU . 2.5 mm? -87.99 150.55 23.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 40.51 51.8 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.29 110.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.769 ' O ' HG21 ' A' ' 97' ' ' VAL . 8.2 mmm180 -88.24 156.36 19.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -58.08 -25.57 61.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.1 pt-20 -80.06 -40.72 27.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 18.7 m80 -40.67 -35.98 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.566 ' HB2' HG23 ' A' ' 97' ' ' VAL . 2.4 t -42.54 124.97 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.62 -173.44 42.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.46 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.3 t -103.27 129.25 50.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CZ ' ' NZ ' ' A' ' 43' ' ' LYS . 9.6 m-85 -103.5 167.85 9.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 91' ' ' ALA . 51.7 m -150.03 128.7 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 tp -106.45 107.86 19.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 89' ' ' ARG . 19.9 tp -99.26 117.68 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.081 HG11 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -115.95 109.79 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -107.51 148.73 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 25.0 t30 -155.47 154.12 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.496 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.2 OUTLIER -32.59 -44.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 5' ' ' SER . 7.2 mp -67.02 -75.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.94 -158.64 7.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 84.2 p -143.97 166.9 23.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.457 ' O ' HD12 ' A' ' 81' ' ' LEU . 10.8 tpt180 -150.56 156.73 41.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.55 131.45 22.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' THR . . . -110.42 -176.14 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -157.69 137.0 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -148.21 137.59 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -101.19 144.79 29.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' CD1' ' HG3' ' A' ' 17' ' ' GLN . 15.3 tp -135.26 152.5 51.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -138.43 135.62 35.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 71' ' ' ARG . 24.9 t -103.03 133.28 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.33 131.92 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -103.32 17.05 24.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -133.17 153.89 80.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 154.9 67.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 152.96 37.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.657 0.741 . . . . 0.0 110.833 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 154.36 67.58 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 143.13 50.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.9 161.86 26.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.07 96.6 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.2 p -104.93 102.71 37.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 111.14 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 132.6 23.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 m -110.26 123.86 50.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 140.72 91.22 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.32 53.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 113' ' ' SER . 93.3 p -76.14 136.47 39.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 112' ' ' SER . 57.7 m 37.18 42.53 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -140.34 134.3 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 t -120.54 166.12 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.1 -57.55 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.52 ' HB3' HD11 ' A' ' 86' ' ' LEU . 50.8 m -116.44 81.94 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.374 . . . . 0.0 110.82 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -135.02 77.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 149.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 156.45 63.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.484 ' HG2' HG23 ' A' ' 32' ' ' THR . 13.1 pt20 -147.83 151.96 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.3 98.21 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.68 -22.62 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.17 126.44 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.0 t80 -164.91 139.24 4.15 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.74 123.31 9.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' ASP . 34.8 mp0 -83.46 173.89 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -37.85 116.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.818 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -137.46 175.5 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -122.93 169.01 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.6 p -161.78 136.19 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -72.42 138.52 47.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.96 110.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.09 -20.1 17.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.16 -175.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -127.0 131.61 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.914 HG12 ' HB ' ' A' ' 67' ' ' ILE . 4.7 p -117.01 154.32 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -134.62 100.65 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 HD23 ' A' ' 65' ' ' LEU . 41.8 mt -100.33 108.98 21.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -118.0 126.87 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.77 98.23 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HB3' HD11 ' A' ' 11' ' ' ILE . 27.5 tttt -62.97 136.77 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 82' ' ' VAL . 35.9 m -127.37 143.17 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -106.09 -76.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.2 -136.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.6 m -124.94 99.1 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.538 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -62.95 151.76 85.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.74 153.85 93.03 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.335 -0.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 mt -131.88 131.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 39' ' ' CYS . 47.0 m -74.39 154.03 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.711 ' SG ' HG12 ' A' ' 82' ' ' VAL . 85.9 m -145.73 134.94 22.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.5 m -141.51 140.55 33.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.656 ' HB3' HD12 ' A' ' 48' ' ' ILE . 78.9 m95 -109.0 129.46 55.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 mtm -137.68 156.38 48.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -136.83 126.31 25.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 55.78 50.63 13.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 55.75 41.55 30.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -152.16 105.01 3.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -43.8 136.13 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' A' ' 41' ' ' TRP . 92.7 mt -77.12 151.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -112.14 123.29 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.29 137.01 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.4 p -173.44 173.55 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.49 -4.7 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 71' ' ' ARG . 7.6 m-70 -105.23 -35.33 7.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.0 mtp -135.49 110.47 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 65' ' ' LEU . 28.9 mmtt -94.94 -176.63 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 55' ' ' LYS . 70.8 t -161.54 122.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -110.64 78.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -77.47 125.52 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.6 m -155.78 -177.76 6.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.6 tt0 -58.1 -69.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' GLU . 26.1 m120 -36.75 -36.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 163.06 -132.5 2.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 8.0 t -152.12 144.57 24.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.878 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -120.43 154.85 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.561 HD23 HD12 ' A' ' 27' ' ' LEU . 14.7 tp -132.05 94.09 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -85.63 114.53 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.914 ' HB ' HG12 ' A' ' 25' ' ' VAL . 43.4 mt -97.91 120.79 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.66 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.7 mm? -97.39 147.48 24.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.25 53.33 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.16 108.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.725 ' O ' HG21 ' A' ' 97' ' ' VAL . 24.3 mtp180 -92.14 151.26 20.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HA ' HG11 ' A' ' 97' ' ' VAL . 5.1 tt0 -53.38 -26.58 19.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 pp20? -72.65 -38.41 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 27.6 m170 -45.36 -31.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 39.8 t -50.92 114.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 173.93 -147.96 9.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.55 126.7 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -102.61 168.16 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 91' ' ' ALA . 34.8 m -150.99 118.86 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -97.06 112.45 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 89' ' ' ARG . 18.6 tp -97.57 120.63 38.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.027 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -116.38 99.47 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 37.7 mt-10 -98.06 152.91 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.47 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 5.7 p-10 -155.42 -175.05 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -44.41 84.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 5' ' ' SER . 7.7 mt -67.81 -72.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.463 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -148.29 -135.45 2.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.465 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 50.9 p -161.8 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.502 ' HB3' HG23 ' A' ' 82' ' ' VAL . 9.8 tpt180 -132.72 160.72 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -143.62 138.13 28.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 79' ' ' THR . . . -117.92 -178.35 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -155.53 133.01 11.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -141.85 119.12 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -80.35 134.61 36.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -123.21 152.03 41.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.3 m -137.37 131.24 31.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.725 HG21 ' O ' ' A' ' 71' ' ' ARG . 58.7 t -101.15 132.85 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.29 120.98 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -94.8 14.45 21.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -71.7 144.82 88.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 159.59 52.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.81 145.33 39.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.646 0.736 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 148.11 64.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.294 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 92.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -43.77 99.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 107' ' ' THR . . . -152.99 149.73 21.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.513 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' GLY . 15.3 t -36.08 138.03 0.46 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.29 50.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.613 2.208 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.0 m -57.79 93.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.62 -155.89 29.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 131.13 20.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.2 t -69.87 -52.61 23.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.6 m -59.73 161.24 6.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -103.66 90.88 3.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -63.87 117.1 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.01 -101.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -55.34 118.09 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.833 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 2.9 m -85.5 139.98 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.84 176.11 5.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.438 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 141.22 44.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' CG ' HG23 ' A' ' 32' ' ' THR . 10.7 pt20 -151.05 144.46 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.27 96.42 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.599 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -79.07 -25.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -126.0 122.17 35.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 12.3 t80 -156.97 139.4 10.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.73 124.38 11.04 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.28 175.52 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.11 126.04 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -145.54 175.01 10.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -123.12 170.53 10.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 p -159.92 150.11 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.6 mmt85 -87.74 116.46 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -36.71 109.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 110.7 1.81 28.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.31 178.62 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.4 p -114.67 117.6 31.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.589 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -110.87 154.15 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -134.93 106.2 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.0 mt -107.94 108.42 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 30' ' ' LYS . 28.2 t80 -121.07 137.11 54.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.9 90.58 0.5 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HB3' HD11 ' A' ' 11' ' ' ILE . 15.2 tttm -51.59 134.27 29.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.787 HG11 HG11 ' A' ' 82' ' ' VAL . 29.8 m -126.28 145.11 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -110.69 -76.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 32' ' ' THR . . . 31.26 -130.24 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.559 ' N ' HD11 ' A' ' 37' ' ' ILE . 98.1 m -140.62 105.46 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.144 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 32.0 mm-40 -65.68 154.03 89.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.8 Cg_endo -69.73 155.81 93.01 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.381 -0.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.559 HD11 ' N ' ' A' ' 34' ' ' THR . 24.9 mt -140.32 130.04 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.9 m -70.87 150.21 46.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.5 m -145.81 126.23 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.0 m -135.48 138.29 43.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.751 ' HB3' HD12 ' A' ' 48' ' ' ILE . 58.2 m95 -105.87 120.11 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' THR . 6.4 mtm -134.2 150.46 51.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -126.6 122.26 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CE1' ' SG ' ' A' ' 77' ' ' CYS . 10.5 m-85 57.43 47.14 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 61.98 29.99 17.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.26 112.15 13.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -54.27 122.01 9.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' A' ' 41' ' ' TRP . 76.2 mt -66.04 146.9 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -107.35 123.75 48.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.57 134.59 57.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -173.06 168.43 4.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.18 -15.79 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 22.0 m-70 -96.29 -34.39 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.604 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 33.0 mtp -133.08 96.46 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 65' ' ' LEU . 42.4 mttm -95.86 167.7 11.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.7 t -144.79 127.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.27 84.87 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -83.69 128.99 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.39 -175.82 5.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CD ' ' HG3' ' A' ' 35' ' ' GLN . 4.8 tp10 -53.15 -49.03 67.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -52.47 -39.09 60.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.475 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 157.22 -127.15 1.87 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.0 t -145.83 133.21 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.993 0.425 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.39 148.27 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 55' ' ' LYS . 17.8 tp -128.9 97.81 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -88.48 115.89 26.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.589 ' HB ' HG12 ' A' ' 25' ' ' VAL . 67.3 mt -99.16 108.76 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.697 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.3 mm? -85.45 146.64 26.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 44.82 49.72 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . -35.27 122.37 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 97' ' ' VAL . 46.2 mtp180 -102.61 164.52 11.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -62.63 -17.09 59.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 2.6 pt-20 -86.06 -31.63 21.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.429 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 16.7 m170 -57.12 -20.47 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.56 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.62 ' HB2' HG23 ' A' ' 97' ' ' VAL . 1.4 t -57.02 134.03 55.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.24 172.0 15.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.562 ' SG ' ' CE1' ' A' ' 44' ' ' PHE . 20.1 p -84.95 141.21 30.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -108.31 177.61 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 89.9 m -155.0 116.81 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -99.88 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 tp -92.87 123.31 36.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.787 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -123.07 99.05 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -103.94 152.81 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 86' ' ' LEU . 8.3 p-10 -154.39 -175.13 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.01 -31.77 70.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.452 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 80.0 mt -77.51 -75.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -144.3 -135.63 2.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 p -163.4 155.18 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.594 ' HB3' HG23 ' A' ' 82' ' ' VAL . 26.4 tpt180 -137.53 156.24 48.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -144.73 130.57 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -114.08 -177.55 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -157.27 130.49 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.44 118.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -77.48 142.26 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -137.0 141.35 42.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.8 m -126.49 132.22 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 75' ' ' CYS . 38.6 t -99.49 132.89 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.45 123.88 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -94.51 13.52 23.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -149.89 148.97 26.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.561 0.695 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 179.7 3.49 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.751 2.301 . . . . 0.0 112.324 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.12 141.6 31.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 149.46 67.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.407 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 175.8 7.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.43 -31.34 14.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -102.39 174.7 24.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.5 m -53.06 127.72 46.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.586 0.708 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -48.52 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.2 p -70.68 143.15 51.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.07 68.16 0.39 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 117.16 4.92 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.4 t -101.41 129.68 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.8 t -128.65 109.08 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -42.79 133.9 3.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -109.78 85.38 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.38 -122.89 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -70.59 98.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -99.86 137.55 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.28 173.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' ND2' ' A' ' 84' ' ' ASN . 53.8 Cg_endo -69.77 140.24 42.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HG3' ' CG2' ' A' ' 32' ' ' THR . 18.5 pt20 -147.68 149.9 33.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.44 98.05 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.64 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -82.32 -24.49 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -124.27 129.84 51.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 9.2 t80 -165.26 139.68 4.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.655 0.74 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.58 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.76 138.27 37.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -93.11 174.16 7.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.28 115.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 1.9 pt20 -134.3 174.74 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -124.06 163.34 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.07 139.01 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -71.99 133.17 45.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -52.22 111.44 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.69 -20.57 15.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -71.82 -176.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.7 p -124.75 126.4 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.596 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -111.8 154.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -133.75 100.76 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -99.67 106.44 18.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -114.93 132.17 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.66 102.43 0.95 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HB3' HD11 ' A' ' 11' ' ' ILE . 14.9 tttm -61.23 127.17 30.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.992 HG11 HG11 ' A' ' 82' ' ' VAL . 32.8 m -118.97 142.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.434 ' CG2' ' HG3' ' A' ' 9' ' ' GLN . 7.7 t -131.07 154.9 47.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.71 -99.05 0.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -154.2 111.03 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.686 0.279 . . . . 0.0 111.126 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 33.8 mm-40 -72.77 155.23 90.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.7 Cg_endo -69.71 161.18 86.59 Favored 'Cis proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.381 -0.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mt -136.97 125.65 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.441 ' O ' HG12 ' A' ' 82' ' ' VAL . 14.6 m -72.86 151.37 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.438 ' SG ' HG12 ' A' ' 82' ' ' VAL . 55.8 m -149.9 117.36 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -129.34 138.66 51.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.704 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.6 m95 -106.25 118.17 35.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.1 mtm -128.75 137.62 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CE ' ' HA3' ' A' ' 76' ' ' GLY . 21.2 tttt -114.04 122.05 45.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 58.02 47.21 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 61.32 29.91 18.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -128.61 114.96 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -57.5 121.68 10.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.704 HD12 ' HB3' ' A' ' 41' ' ' TRP . 75.2 mt -71.68 143.15 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -106.44 119.81 40.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.86 133.91 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -174.49 178.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -63.72 -15.81 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -90.86 -37.94 13.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.9 mtp -136.98 106.61 6.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -101.95 167.63 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -144.61 132.19 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -114.2 82.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.65 118.47 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.7 m -136.43 -179.85 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -65.46 -60.49 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -45.92 -38.59 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.548 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 172.08 -142.21 6.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -139.34 139.36 37.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -112.55 153.42 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD22 ' CE3' ' A' ' 41' ' ' TRP . 17.4 tp -132.79 95.74 3.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.0 m -86.23 127.34 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.596 ' HB ' HG12 ' A' ' 25' ' ' VAL . 78.9 mt -110.56 114.7 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.8 mm? -89.23 149.64 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 43.18 53.68 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.63 93.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ALA . 32.7 mtp85 -77.51 152.69 34.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -53.1 -17.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -80.44 -33.49 36.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.454 ' CE1' HG23 ' A' ' 67' ' ' ILE . 16.9 m170 -51.38 -32.51 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 1.7 t -45.84 125.03 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' HA3' ' CE ' ' A' ' 43' ' ' LYS . . . 152.24 178.99 27.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.2 p -96.59 135.24 38.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 1.7 m-85 -102.61 175.46 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.4 m -153.35 119.09 5.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 tp -97.67 108.43 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 tp -97.0 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.992 HG11 HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -122.84 104.04 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -107.89 153.26 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 84' ' ' ASN . 11.5 p-10 -162.2 174.19 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -45.57 -49.79 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.11 -76.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.99 -143.33 3.8 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.515 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 p -153.58 169.75 22.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HB3' HG23 ' A' ' 82' ' ' VAL . 22.3 tpt180 -155.97 159.89 39.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.51 138.16 23.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.0 -178.56 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -154.25 122.36 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.38 119.29 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -76.61 146.58 38.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -143.27 151.04 40.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.4 m -142.22 144.39 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 71' ' ' ARG . 63.9 t -110.56 131.1 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.64 118.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -89.73 10.64 22.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -133.43 152.62 79.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.541 0.686 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 149.52 67.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 11.6 t70 -127.32 140.42 37.87 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 54.1 Cg_endo -69.72 167.66 23.73 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.631 2.22 . . . . 0.0 112.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 120.74 7.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.37 95.73 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 169.8 -149.46 13.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.9 p -106.94 126.21 30.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.552 0.692 . . . . 0.0 111.156 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.04 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.652 2.234 . . . . 0.0 112.391 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.1 p -168.58 145.66 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.24 -140.23 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.19 63.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.7 t -105.87 106.98 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -73.0 109.78 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -52.26 151.69 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -119.43 121.86 40.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.87 -147.45 19.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.2 p -74.11 103.76 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -103.04 138.28 40.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.13 175.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.3 Cg_endo -69.75 133.05 24.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.314 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' CG ' HG23 ' A' ' 32' ' ' THR . 13.0 pt20 -141.99 151.36 42.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -104.14 96.88 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.14 -25.36 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -124.7 135.21 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.2 t80 -168.96 139.88 1.96 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 131.92 22.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.4 -175.66 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -46.27 114.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.3 pt20 -137.57 171.41 14.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -119.48 169.35 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 p -160.41 132.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -70.4 125.5 26.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -45.32 111.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 117.14 -32.69 5.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -59.12 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 84.0 p -128.05 129.49 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.76 158.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -134.97 85.63 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 65' ' ' LEU . 40.1 mt -84.44 106.67 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -118.15 129.03 55.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.48 96.96 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.463 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HB3' HD11 ' A' ' 11' ' ' ILE . 14.6 tttm -56.57 128.01 34.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.041 HG11 HG11 ' A' ' 82' ' ' VAL . 33.0 m -121.09 141.77 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.41 HG23 ' CG ' ' A' ' 9' ' ' GLN . 3.2 t -131.33 156.78 44.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.79 -100.57 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -151.63 105.69 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.712 0.291 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 34.7 mm-40 -69.21 154.66 94.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.597 0.713 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.5 Cg_endo -69.8 160.83 87.47 Favored 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.382 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.5 mt -138.87 129.12 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.9 m -78.21 149.4 33.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' SG ' HG12 ' A' ' 82' ' ' VAL . 59.9 m -146.63 107.44 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.1 m -112.52 139.55 48.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.474 ' HB3' HD12 ' A' ' 48' ' ' ILE . 48.7 m95 -108.66 120.85 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 mtm -130.35 171.97 12.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -156.15 123.74 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 64.79 38.78 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 63.1 41.94 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.72 125.86 9.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.64 132.82 55.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 41' ' ' TRP . 89.5 mt -75.08 144.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -103.15 115.0 29.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.57 136.06 27.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 54' ' ' MET . 3.5 t -173.79 157.91 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.08 -20.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' SER . 5.6 m170 -87.08 -38.7 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 51' ' ' SER . 24.6 mtp -133.17 102.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -101.82 169.83 8.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.6 t -142.67 138.87 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -120.73 82.48 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.56 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -69.65 131.56 44.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.6 m -157.1 175.39 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.23 -63.82 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -38.97 -42.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.602 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 168.65 -134.4 3.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.437 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 25.6 t -141.04 148.23 39.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -126.91 147.84 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD23 HD12 ' A' ' 27' ' ' LEU . 14.3 tp -128.12 97.47 4.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -86.55 119.41 26.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -103.31 107.07 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.9 mm? -84.51 146.72 27.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.36 53.6 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.47 111.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.711 ' O ' HG21 ' A' ' 97' ' ' VAL . 9.0 mmm180 -91.64 151.68 20.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -55.35 -29.16 57.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 74' ' ' HIS . 10.0 pt-20 -73.77 -42.14 61.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' GLU . 18.6 m80 -38.29 -36.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 3.8 t -42.14 115.92 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.6 170.67 33.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.5 m -88.8 130.0 35.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.349 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -101.69 175.13 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.7 m -152.39 126.11 8.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.0 tp -104.97 105.47 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.62 121.15 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.041 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -118.67 109.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -108.47 140.15 42.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 5.3 t30 -148.84 157.46 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.475 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 17.0 tptt -34.65 -46.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.51 -75.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.0 -131.43 2.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.0 p -164.53 176.95 8.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.392 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.6 tpt85 -165.77 159.87 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -149.99 126.27 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 79' ' ' THR . . . -108.04 -175.54 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -156.87 142.74 17.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -144.54 141.42 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -100.23 128.54 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.0 tp -123.66 156.28 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.4 m -144.5 139.53 28.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.711 HG21 ' O ' ' A' ' 71' ' ' ARG . 61.5 t -108.42 135.99 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.46 123.17 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -100.78 14.87 30.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.99 152.53 16.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 146.8 61.5 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.642 2.228 . . . . 0.0 112.338 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 2.0 t70 -80.32 140.86 52.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 54.2 Cg_endo -69.74 154.52 67.73 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.734 2.289 . . . . 0.0 112.375 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 111.41 2.81 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.29 173.48 6.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 157.15 -105.21 0.27 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.2 p -145.56 151.11 45.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.711 . . . . 0.0 111.112 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -30.58 22.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.2 p -139.42 139.55 37.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -173.97 73.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 97.03 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 51.9 m -48.89 134.55 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.6 m -102.26 93.64 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 42.71 43.03 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -129.14 153.66 47.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.48 74.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -83.47 86.79 7.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -92.51 -59.47 2.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' N ' HD13 ' A' ' 86' ' ' LEU . . . 166.35 174.77 36.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.461 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' CG ' ' A' ' 84' ' ' ASN . 53.8 Cg_endo -69.74 135.97 31.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.316 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -145.76 152.87 40.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.613 HD13 ' HB2' ' A' ' 91' ' ' ALA . 22.9 mt -106.66 96.62 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -81.55 -26.03 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.08 129.12 50.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 10.3 t80 -164.3 139.65 4.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.586 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.77 135.06 29.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -91.47 -177.68 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -46.91 114.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -137.75 167.94 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -113.45 169.98 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -163.41 129.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -64.73 131.83 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -50.35 111.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 114.62 -24.69 10.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -62.46 -177.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.5 p -123.66 124.91 43.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.943 HG12 ' HB ' ' A' ' 67' ' ' ILE . 4.0 p -113.05 153.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.45 89.9 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -88.08 104.48 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -114.4 124.54 52.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -110.59 93.34 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HB3' HD11 ' A' ' 11' ' ' ILE . 35.2 tttt -52.1 125.11 14.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.982 HG11 HG11 ' A' ' 82' ' ' VAL . 33.7 m -118.83 141.57 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 5.9 t -130.68 153.17 49.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.13 -110.02 0.43 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m -144.91 105.65 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 37.7 mm-40 -67.98 155.01 92.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.7 160.9 87.08 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.332 -0.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.1 mt -139.75 136.68 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.0 m -82.52 153.1 25.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' A' ' 82' ' ' VAL . 49.8 m -154.76 105.15 2.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.7 m -117.23 137.92 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.618 ' HB3' HD12 ' A' ' 48' ' ' ILE . 65.0 m95 -101.09 126.06 47.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' THR . 16.6 mtm -135.3 156.92 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 tttm -131.75 116.12 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 60.11 47.25 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 63.19 33.19 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -134.21 112.8 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.99 125.65 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 41' ' ' TRP . 87.6 mt -72.81 141.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -103.65 113.72 27.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -45.76 137.19 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -170.62 -175.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.99 -16.87 62.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 19.8 m-70 -92.7 -36.55 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.598 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 41.3 mtp -132.52 107.04 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 65' ' ' LEU . 27.5 mtmt -103.05 176.82 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -147.7 137.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -124.02 85.97 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -64.72 131.42 46.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -152.62 170.2 20.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.63 -59.39 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -45.02 -37.07 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.6 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 167.54 -137.35 4.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -139.72 136.14 33.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.891 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -112.65 136.36 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 55' ' ' LYS . 10.0 tp -116.96 97.33 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -83.0 126.51 32.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.943 ' HB ' HG12 ' A' ' 25' ' ' VAL . 85.0 mt -110.95 107.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.7 mm? -88.54 146.43 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' ARG . . . 49.59 53.27 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -33.68 94.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.504 ' H ' ' CE1' ' A' ' 74' ' ' HIS . 49.4 ttt85 -83.09 152.79 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -45.75 -43.75 13.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.5 pt-20 -54.04 -44.65 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.504 ' CE1' ' H ' ' A' ' 71' ' ' ARG . 78.0 m80 -44.12 -36.45 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.2 t -45.18 123.2 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 148.3 175.79 21.21 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.0 140.7 29.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -108.08 -176.45 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 91' ' ' ALA . 57.9 m -158.95 119.01 3.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -98.42 103.31 15.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.9 tp -89.23 137.08 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.982 HG11 HG11 ' A' ' 31' ' ' VAL . 1.2 m -136.86 105.99 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -112.19 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 84' ' ' ASN . 7.7 p-10 -148.98 -179.82 7.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -53.5 -39.06 64.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 7' ' ' GLY . 93.7 mt -67.96 -74.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.5 -136.38 2.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 p -158.71 164.11 36.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.489 ' HB3' HG23 ' A' ' 82' ' ' VAL . 32.2 tpt85 -152.83 157.36 40.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.12 130.58 17.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.613 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -107.17 -176.71 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -155.74 133.63 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.78 125.01 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -86.13 135.26 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.5 tp -129.81 145.14 51.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.3 m -132.73 131.96 41.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.417 HG12 ' HB2' ' A' ' 21' ' ' ALA . 44.8 t -100.8 134.27 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.65 117.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -92.5 13.89 18.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.83 152.79 37.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 171.43 14.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -56.79 144.02 67.82 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.53 69.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.38 63.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.42 130.62 17.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.08 -177.05 49.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.582 HG22 ' H ' ' A' ' 109' ' ' SER . 44.7 m -118.07 123.48 29.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 0.0 111.156 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.9 35.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.582 ' H ' HG22 ' A' ' 107' ' ' THR . 35.1 p -95.96 134.42 38.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -85.44 170.05 44.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 141.4 45.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.6 p -83.05 146.61 28.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 m -42.35 137.33 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 m -85.69 150.96 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -108.2 112.64 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.31 -86.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 p -74.79 121.74 22.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.788 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -112.45 123.64 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.34 173.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.3 Cg_endo -69.81 136.49 33.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -145.89 148.48 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.8 mt -99.12 97.18 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.667 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -79.5 -31.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.479 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 mp0 -122.86 140.16 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 14.8 t80 -170.34 139.7 1.48 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.577 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.74 130.63 19.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -90.09 179.74 5.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -43.74 118.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.2 pt20 -139.44 178.67 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -124.04 168.67 12.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.85 136.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -72.55 131.14 42.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.31 112.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . 113.3 -24.36 12.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -66.26 -175.04 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.5 p -127.6 122.88 34.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.73 160.08 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -134.95 89.16 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.759 HD12 HD23 ' A' ' 65' ' ' LEU . 39.2 mt -87.98 95.85 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -107.08 129.08 54.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.97 96.49 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HB3' HD11 ' A' ' 11' ' ' ILE . 24.8 tttp -56.08 138.97 48.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.863 HG11 HG11 ' A' ' 82' ' ' VAL . 27.8 m -132.52 151.42 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 4.3 t -141.05 150.39 42.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.71 -109.84 0.42 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -143.51 105.82 4.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.532 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 40.2 mm-40 -68.61 154.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.6 Cg_endo -69.73 160.84 87.26 Favored 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.328 0.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.12 131.98 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -81.05 152.93 27.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.518 ' SG ' HG12 ' A' ' 82' ' ' VAL . 9.9 m -154.04 119.75 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.0 m -127.02 136.09 51.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -104.5 114.9 29.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.4 mtm -121.21 150.0 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 77' ' ' CYS . 24.2 tttt -129.78 122.32 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 63.75 44.34 5.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 60.87 39.06 17.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -150.92 120.89 7.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -52.12 126.51 18.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.61 144.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -96.01 121.8 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.07 122.6 15.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 t -161.18 164.5 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.28 -20.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -85.61 -39.38 17.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 54.2 mtp -134.62 100.96 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.6 168.62 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.0 t -145.1 128.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -120.32 85.58 2.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 2.9 p30 -81.41 141.2 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.83 -175.94 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 45.3 tt0 -53.04 -45.62 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.48 -38.55 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.616 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 154.15 -126.5 1.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.8 t -146.88 130.85 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.972 0.415 . . . . 0.0 110.829 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -116.63 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.759 HD23 HD12 ' A' ' 27' ' ' LEU . 14.6 tp -113.09 96.84 6.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 m -86.97 119.31 27.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.2 mt -103.24 112.43 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.744 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -90.46 146.44 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 47.93 49.26 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.168 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.26 117.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.744 ' O ' HG21 ' A' ' 97' ' ' VAL . 41.1 mtp180 -95.53 171.28 8.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -66.72 -28.13 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.472 ' OE2' ' CD2' ' A' ' 74' ' ' HIS . 2.2 pp20? -72.96 -45.14 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.472 ' CD2' ' OE2' ' A' ' 73' ' ' GLU . 25.5 m170 -36.75 -40.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 5.6 t -46.48 118.87 2.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.41 -134.47 3.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 26.5 p -137.26 145.25 43.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 4.2 m-85 -119.29 170.82 8.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 91' ' ' ALA . 91.6 m -151.15 122.89 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -100.09 110.95 23.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.4 tp -102.12 118.63 37.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.863 HG11 HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -118.08 108.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -110.09 144.14 39.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 12.5 t30 -149.62 156.61 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -38.37 -31.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.57 -74.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.19 -132.74 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.502 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.4 p -168.62 164.01 12.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.4 tpt180 -151.34 158.77 44.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -147.52 133.58 19.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 79' ' ' THR . . . -119.9 -175.74 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -156.93 141.96 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -145.61 130.89 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -92.16 128.4 37.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.6 tp -120.12 152.7 37.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.3 m -137.57 139.22 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.744 HG21 ' O ' ' A' ' 71' ' ' ARG . 48.3 t -108.53 134.36 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.49 120.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -92.58 15.04 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -71.68 155.57 92.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 175.15 8.44 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.644 2.23 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 1.4 t70 -103.0 141.15 21.88 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.55 0.691 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 102' ' ' ASP . 53.7 Cg_endo -69.76 145.25 56.56 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 91.49 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.397 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.47 130.71 44.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.2 -150.95 12.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.549 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.3 p -87.26 121.88 71.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.53 0.681 . . . . 0.0 111.133 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.95 13.06 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 t -64.61 161.11 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.16 -94.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.9 Cg_endo -69.8 91.92 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 111' ' ' PRO . 82.1 p -34.93 128.44 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 m -50.66 172.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -84.16 139.07 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 m -55.67 -47.49 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.5 -65.36 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.51 ' HB3' HD21 ' A' ' 86' ' ' LEU . 4.6 m -79.13 75.83 5.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -127.19 73.98 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.817 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.623 ' H ' HD23 ' A' ' 86' ' ' LEU . . . 58.43 155.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' CG ' ' HA ' ' A' ' 88' ' ' SER . 53.5 Cg_endo -69.74 147.11 62.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.315 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -155.01 127.95 8.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mt -89.12 98.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.767 HD12 ' CG2' ' A' ' 32' ' ' THR . 0.3 OUTLIER -81.51 -19.73 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.089 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -124.04 119.28 29.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 5.2 t80 -158.07 140.38 10.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.658 0.742 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.79 132.08 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 44.5 mt-10 -88.52 173.05 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 2.6 p-10 -37.24 111.81 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' NE2' ' HB2' ' A' ' 14' ' ' PRO . 3.1 pt20 -130.6 171.33 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -115.66 169.47 9.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 p -159.43 139.2 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ALA . 15.1 mmt180 -80.03 113.76 18.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' HG12 ' A' ' 97' ' ' VAL . . . -35.11 110.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.64 6.62 30.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -95.23 -175.28 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 p -122.45 118.55 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.4 p -109.38 154.98 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -132.67 99.23 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 mt -103.0 101.69 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -120.36 141.46 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.81 109.58 1.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -67.56 126.09 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.762 HG11 HG11 ' A' ' 82' ' ' VAL . 17.8 m -106.81 145.49 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.767 ' CG2' HD12 ' A' ' 11' ' ' ILE . 2.1 p -105.83 -32.79 8.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.756 ' C ' HD11 ' A' ' 37' ' ' ILE . . . -38.96 161.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.9 m -63.91 134.17 54.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 25.8 mm-40 -86.97 156.07 55.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.3 Cg_endo -69.75 162.65 83.67 Favored 'Cis proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.3 0.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.756 HD11 ' C ' ' A' ' 33' ' ' GLY . 51.0 mt -133.42 121.95 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.53 ' O ' HG12 ' A' ' 82' ' ' VAL . 21.1 m -64.16 157.5 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' SG ' HG12 ' A' ' 82' ' ' VAL . 72.8 m -150.01 126.06 10.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.3 m -137.39 113.86 10.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' HB3' HD12 ' A' ' 48' ' ' ILE . 64.5 m95 -89.66 119.99 30.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 79' ' ' THR . 13.6 mtm -132.65 135.99 46.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -109.35 119.46 39.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.961 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 58.55 45.79 15.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 63.07 30.16 16.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -127.91 111.85 14.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.52 127.17 26.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 41' ' ' TRP . 63.4 mt -78.61 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -105.08 118.42 36.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -49.59 135.93 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 t -175.04 165.27 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 68' ' ' LEU . 21.6 tp10 -53.1 -22.71 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -87.46 -37.05 17.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.628 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.5 mtp -133.66 97.28 3.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.821 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.6 mttm -96.82 167.44 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' C ' ' OE2' ' A' ' 57' ' ' GLU . 53.4 t -144.34 124.04 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.6 mp0 -112.22 106.04 14.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -92.39 133.74 35.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -165.4 168.17 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.8 OUTLIER -39.15 -70.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' GLU . 78.0 m-20 -35.07 -41.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.86 -134.7 4.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.1 t -131.0 150.99 51.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -133.21 128.92 36.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 55' ' ' LYS . 14.7 tp -108.04 99.88 9.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -88.91 116.11 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.67 ' HB ' HG12 ' A' ' 25' ' ' VAL . 74.2 mt -99.95 114.57 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.722 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.1 mm? -92.59 149.94 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ALA . . . 44.53 50.89 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -34.91 110.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.71 ' O ' HG21 ' A' ' 97' ' ' VAL . 51.5 mtp85 -89.91 162.36 15.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -66.87 -6.76 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -95.44 -36.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -47.57 -31.5 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.64 121.17 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.86 -151.91 13.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 54.0 t -123.7 102.65 7.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.37 158.06 31.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' MET . 27.7 m -141.9 114.92 8.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.182 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.411 HD13 ' NE1' ' A' ' 41' ' ' TRP . 29.7 tp -92.58 108.28 19.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -98.73 115.75 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.762 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.08 99.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 32.8 mt-10 -102.12 153.31 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' HD13 ' A' ' 86' ' ' LEU . 9.2 p-10 -159.14 179.4 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -52.17 -42.78 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 7' ' ' GLY . 3.9 mp -67.47 -75.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 84' ' ' ASN . . . -146.31 -142.68 3.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.452 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 12.8 p -157.56 155.24 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.446 ' HB3' HG23 ' A' ' 82' ' ' VAL . 12.9 tpt180 -138.03 156.4 47.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -141.84 125.7 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.78 -175.67 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -160.43 125.54 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.17 122.47 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.01 129.2 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.0 tp -119.61 143.98 47.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.8 m -126.63 133.44 51.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.71 HG21 ' O ' ' A' ' 71' ' ' ARG . 46.0 t -101.55 132.25 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.98 129.99 68.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -99.58 14.77 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -47.71 154.08 0.98 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 166.83 26.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.28 142.81 92.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.657 0.741 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.8 33.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.88 11.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.306 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.35 113.51 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.87 -167.1 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.6 p -40.51 141.35 0.89 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.573 0.701 . . . . 0.0 111.151 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.27 25.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.7 t 70.76 38.34 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -125.4 -92.06 0.89 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 179.7 3.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.748 2.298 . . . . 0.0 112.326 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.5 t -165.75 142.59 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -111.23 147.91 33.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 m -110.63 -60.29 1.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -71.62 97.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.6 155.35 12.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m -60.12 144.36 49.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -118.27 -73.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.28 171.05 31.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 32' ' ' THR . 53.4 Cg_endo -69.8 136.22 32.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.308 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' CG ' HG23 ' A' ' 32' ' ' THR . 4.3 pt20 -145.59 141.04 27.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' A' ' 91' ' ' ALA . 21.1 mt -93.62 92.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -80.83 -21.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -128.1 128.48 44.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.55 ' CD1' ' HD2' ' A' ' 14' ' ' PRO . 8.3 t80 -162.17 139.75 6.51 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.69 132.45 23.48 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -86.56 -177.72 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.05 119.04 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -136.31 -178.93 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -130.01 167.77 17.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 p -157.21 132.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -71.4 119.69 15.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -40.76 113.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.412 ' H ' ' HB3' ' A' ' 70' ' ' ALA . . . 103.21 11.9 32.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -97.25 -174.95 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.8 p -122.17 117.55 26.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.784 HG12 ' HB ' ' A' ' 67' ' ' ILE . 1.2 p -117.84 171.23 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' H ' HG22 ' A' ' 25' ' ' VAL . 9.8 pt-20 -161.29 109.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.62 115.49 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -114.6 133.29 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -117.92 97.5 0.73 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HB3' HD11 ' A' ' 11' ' ' ILE . 18.8 tttp -57.23 123.26 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.02 HG11 HG11 ' A' ' 82' ' ' VAL . 22.5 m -117.59 136.85 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.454 HG23 ' CG ' ' A' ' 9' ' ' GLN . 1.7 t -129.46 148.01 51.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 162.89 -103.54 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.6 m -149.47 108.16 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.171 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 29.2 mm-40 -68.17 154.63 93.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 35' ' ' GLN . 53.9 Cg_endo -69.69 160.51 87.68 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.356 -0.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -139.27 120.57 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -71.58 149.68 45.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.567 ' SG ' HG12 ' A' ' 82' ' ' VAL . 61.4 m -148.92 108.94 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -119.0 148.9 42.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.57 ' HB3' HD12 ' A' ' 48' ' ' ILE . 59.0 m95 -112.61 126.52 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.3 mtm -137.12 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -155.56 118.61 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 63.85 38.15 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.9 mmm180 68.46 44.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 5.1 pttp -146.4 126.24 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -72.16 114.47 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.57 HD12 ' HB3' ' A' ' 41' ' ' TRP . 78.8 mt -61.39 140.05 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -100.44 125.92 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.42 139.32 49.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.1 p -174.4 168.66 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.6 -19.76 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 20.6 m-70 -88.51 -37.97 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 52.6 mtp -133.26 106.22 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -103.91 169.75 8.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -141.92 122.17 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -105.35 81.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.598 ' H ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -68.42 134.8 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -159.45 169.81 23.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -63.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -39.18 -42.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.563 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 171.27 -131.32 2.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 39' ' ' CYS . 5.8 t -151.0 132.22 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.852 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -110.25 146.63 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 tp -125.1 96.72 4.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -84.41 139.77 32.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.784 ' HB ' HG12 ' A' ' 25' ' ' VAL . 82.4 mt -121.93 112.93 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.77 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -93.68 148.56 21.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' HB3' ' CE1' ' A' ' 53' ' ' HIS . . . 43.41 50.68 6.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ALA . . . -33.67 144.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.518 ' HE ' ' CE1' ' A' ' 74' ' ' HIS . 64.5 mtm180 -129.29 141.96 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' ARG . 6.8 tp60 -35.56 -37.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' HIS . 11.6 pt-20 -60.44 -47.01 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.518 ' CE1' ' HE ' ' A' ' 71' ' ' ARG . 12.0 m80 -37.4 -41.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.586 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -37.58 129.71 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.88 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.91 172.93 15.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.425 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.7 p -93.0 132.47 37.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -97.98 177.67 5.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 m -152.79 121.08 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.93 110.78 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 89' ' ' ARG . 25.4 tp -96.67 124.39 40.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.02 HG11 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -124.2 102.3 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HG2' ' CB ' ' A' ' 88' ' ' SER . 47.8 mt-10 -102.4 154.07 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 85' ' ' LYS . 18.2 t30 -159.27 153.59 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -35.35 -40.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 85' ' ' LYS . 48.1 mt -70.86 -72.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.51 -154.96 6.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 83' ' ' GLU . 34.5 p -149.19 162.62 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 81' ' ' LEU . 1.4 tpm_? -148.38 163.43 37.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -149.23 136.87 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.582 ' HB2' HD13 ' A' ' 10' ' ' ILE . . . -116.16 179.58 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -154.22 137.04 15.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.79 121.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -78.28 133.78 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 tp -126.99 147.17 50.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.8 m -135.09 139.43 44.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.6 t -107.45 138.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.46 122.37 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.179 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -95.39 16.66 16.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -40.21 142.94 0.67 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.694 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.76 4.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -70.94 147.31 93.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.26 47.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.707 2.272 . . . . 0.0 112.345 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 152.27 69.53 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.383 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -119.13 86.01 2.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -175.59 -174.92 42.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 p -134.81 152.67 77.91 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.597 0.713 . . . . 0.0 111.15 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.55 3.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 p -60.81 156.14 17.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.71 149.78 7.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 101.13 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.3 p -56.27 137.35 52.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.6 m -46.93 149.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.982 . . . . . . . . 0 0 . 1 stop_ save_