data_2mja_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 2mja _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.54 119.35 32.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.86 116.59 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 mm -73.97 -48.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 t -174.03 -179.91 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -131.16 130.47 43.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -120.03 168.18 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.79 35.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -163.57 143.44 6.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -50.89 -52.0 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.23 -56.49 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.77 -59.19 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.12 -52.96 62.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.78 61.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.86 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.34 -22.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.74 -59.28 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.46 -22.63 67.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.55 -38.37 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -42.25 74.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -70.29 -12.5 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -94.92 -4.27 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 14.63 27.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.0 t -126.4 111.38 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.25 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.7 mt -128.28 162.3 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 146.32 50.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.0 mm -123.94 142.77 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.08 103.5 8.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.894 0.378 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.89 126.22 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 t -99.48 118.66 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.88 143.57 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.4 tp -116.35 152.32 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.06 -28.25 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -87.81 87.9 7.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -48.68 -45.08 38.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -34.67 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -13.53 43.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' C ' HG21 ' A' ' 48' ' ' VAL . . . -55.38 -24.61 30.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -78.82 -58.37 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -54.82 -35.82 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 45' ' ' ALA . 32.8 m -73.29 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -58.13 -42.66 86.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -56.94 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.06 -44.1 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.54 -51.55 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -33.04 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.43 -26.75 46.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.829 0.347 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.43 120.86 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 116.39 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -73.02 -48.88 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -175.73 166.14 3.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -115.75 132.26 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -123.9 166.66 15.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.29 41.83 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -167.82 141.34 2.78 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.74 1.11 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -47.65 65.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.55 -56.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -58.39 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -57.66 -49.56 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.21 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -59.4 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -58.57 -22.34 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.7 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -24.2 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mmt -77.63 -43.52 31.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.88 95.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.31 -12.7 61.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -95.23 -4.0 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.38 23.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 44.1 t -128.21 112.46 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.188 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.5 mm -81.68 133.22 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.7 mt -130.46 162.42 29.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.405 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 145.89 50.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 44.3 mm -124.92 143.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.61 103.63 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.53 127.41 34.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -99.7 119.51 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.94 141.26 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 tp -112.68 153.32 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.406 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -103.26 -28.23 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -90.63 88.97 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.54 -43.6 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -33.59 61.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -13.82 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.48 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -68.24 -48.15 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -51.84 68.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.6 m -60.18 -39.76 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -59.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.79 -45.71 63.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 -56.56 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -76.25 -23.95 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -85.77 -37.17 19.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.407 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.82 118.92 31.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.9 115.72 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.21 -47.23 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -175.46 -177.86 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -133.99 126.27 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -117.06 166.27 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.09 50.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -175.62 143.01 0.68 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.331 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -51.13 -48.42 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.62 -55.32 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.9 -60.19 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.6 59.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -57.89 -62.36 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.87 -22.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.05 -59.28 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.51 -22.47 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -41.03 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.8 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.03 -12.81 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -95.12 -3.22 48.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.97 6.83 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 t -118.67 111.73 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.0 132.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.56 162.06 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 145.83 50.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -123.48 143.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.06 103.01 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.874 0.369 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.21 123.6 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 t -99.84 117.25 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.57 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.14 142.68 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 tp -114.66 153.49 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.61 -28.67 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -88.3 86.77 7.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.44 -44.45 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.98 -13.66 41.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.86 -35.32 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -66.66 -49.02 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -54.94 41.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.0 m -55.64 -40.47 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -57.7 -52.96 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.33 -46.69 66.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.53 -57.68 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.49 63.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -73.69 -22.97 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.78 119.2 32.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.43 114.48 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.2 mm -71.49 -49.07 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -175.96 177.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -127.84 125.07 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -114.8 161.3 18.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.93 52.59 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.72 141.29 0.44 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -51.86 -47.06 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.57 -56.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -58.77 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -57.04 -50.9 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.87 -46.31 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.67 -62.06 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.05 -22.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.15 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -22.34 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.1 mmt -80.33 -39.94 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.62 84.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -72.87 -12.76 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -92.55 -3.84 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.06 11.92 35.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 13.5 t -125.45 112.44 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.56 133.6 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.3 mt -128.73 161.06 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.72 144.53 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -122.14 143.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.03 109.28 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.903 0.382 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.76 126.3 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 t -99.99 118.7 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.562 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.74 140.74 51.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 tp -112.45 153.1 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.407 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -102.5 -28.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.87 87.45 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.49 -44.3 45.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.02 -33.69 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -88.12 -13.64 40.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -36.82 40.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.78 -46.41 78.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -54.44 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -57.26 -38.71 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -59.52 -52.99 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.22 -58.25 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.96 -43.92 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -55.93 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.98 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -23.28 59.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.58 -37.24 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.91 123.18 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.53 122.79 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.1 mm -84.72 -44.68 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -175.8 -175.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -134.46 132.64 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -119.11 166.76 12.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.73 25.81 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -155.74 146.72 16.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -51.19 -49.98 59.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.32 -51.96 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.96 -62.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -56.32 -49.61 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.8 -59.09 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -50.02 -54.56 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.73 -23.01 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.03 -59.56 2.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.96 -23.69 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -42.65 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.03 86.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 t -68.06 -12.5 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -94.92 -1.58 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.17 52.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 t -108.4 112.76 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.05 126.73 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.5 161.84 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.72 154.2 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -125.15 145.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.26 104.55 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.32 126.77 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 t -101.36 119.83 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.4 145.75 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.7 tp -118.94 151.93 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.96 -28.91 12.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -87.29 86.11 7.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.83 -43.99 49.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 m -54.88 -33.79 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.798 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -13.52 39.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.3 38.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.86 -50.13 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -54.97 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 m -55.82 -41.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -56.34 -50.74 70.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 -61.22 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -51.72 -45.79 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 tt -55.29 -51.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.52 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -79.14 -23.35 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.32 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.04 121.13 38.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.95 119.32 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 26.8 mm -78.28 -45.42 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t -176.59 -178.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -133.95 129.8 36.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -120.25 173.39 7.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.827 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.09 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -151.57 140.9 14.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -43.56 2.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -51.35 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.83 -52.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -61.97 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -54.66 -53.46 54.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.79 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -61.49 -62.52 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 m -57.29 -24.72 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.01 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -23.21 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.1 mmt -77.2 -43.74 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.17 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -67.62 -12.67 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -95.69 -1.67 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 -3.65 51.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 t -109.03 112.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mm -81.57 133.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.98 161.73 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.411 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.37 147.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 34.5 mm -124.87 144.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.35 103.0 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 129.42 34.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 t -97.92 125.22 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.596 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.56 142.33 49.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 tp -114.22 154.12 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.77 -30.72 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -88.63 89.74 8.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.85 -44.01 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -54.82 -32.52 60.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.24 -13.84 37.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.47 -36.77 35.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.42 -46.1 77.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -54.06 49.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -57.11 -38.56 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -60.21 -53.73 54.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.01 -57.36 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -54.12 -47.96 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -54.83 25.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -72.04 -24.28 61.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -86.64 -34.65 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 120.02 34.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 121.76 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.6 mm -81.43 -50.76 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 t -175.56 -173.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -135.05 152.73 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -136.08 165.7 25.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.53 25.25 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -154.9 141.0 12.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -51.55 -45.79 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.06 -54.26 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.17 -55.93 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.99 -49.15 76.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.54 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -57.65 -58.54 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -61.1 -21.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.04 -59.62 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.2 p90 -63.74 -30.52 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.74 -38.29 62.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.02 84.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -70.96 -12.66 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -91.8 -1.34 57.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.71 -4.63 53.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.0 111.83 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.53 131.21 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -124.37 160.54 27.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.72 140.23 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -116.04 143.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.14 103.48 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 127.33 34.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 t -99.12 120.55 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.582 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.42 140.64 51.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.7 tp -111.14 154.84 23.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.16 -30.78 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -89.67 89.95 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -49.4 -43.67 44.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -33.81 63.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.51 -14.0 41.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.85 -36.14 47.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.25 -48.06 71.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -53.89 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.73 -38.64 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -59.12 -51.52 69.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -58.2 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -53.65 -54.46 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -50.25 38.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.44 80.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -67.51 -24.36 65.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.5 121.24 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.91 118.4 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -77.44 -51.19 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -174.99 -175.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -134.27 152.95 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.42 172.51 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.27 26.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -154.99 141.55 13.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -48.69 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -53.61 -43.16 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.78 -54.38 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.41 -56.79 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -58.33 -47.84 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.97 -47.17 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -57.86 -58.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -61.78 -21.48 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.86 -59.65 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.99 -31.2 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -37.98 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.52 88.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -73.04 -12.85 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -90.11 -1.1 57.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.51 -4.37 54.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 t -108.18 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -81.24 132.44 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -125.28 161.09 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.9 141.83 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.2 mm -119.27 143.7 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.19 103.69 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.17 127.69 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 5.0 t -99.5 121.79 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.585 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 139.61 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -107.85 155.43 20.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.54 -30.37 10.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.29 92.28 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.48 -42.94 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -33.12 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.11 -14.05 39.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.97 45.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.45 -46.34 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -53.35 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.52 -38.3 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.59 -52.61 64.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.13 -57.5 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.27 -53.75 49.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -49.37 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -85.92 -45.38 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE1' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.4 119.05 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.01 115.7 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.0 mm -72.68 -49.21 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 t -175.71 178.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -126.03 142.66 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -133.07 166.07 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.8 41.93 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -171.48 141.92 1.35 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -43.62 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -49.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.64 -57.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.81 -55.07 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -57.71 -51.4 69.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.31 -48.57 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -55.48 -58.64 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.53 -21.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.52 -60.41 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.5 p90 -63.68 -30.87 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.26 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -71.06 -12.64 61.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -91.92 -1.24 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.77 53.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 t -107.02 112.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.97 133.64 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -126.23 161.72 27.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.63 145.82 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 mm -123.15 143.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.57 103.88 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.35 125.55 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 t -99.81 117.91 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.65 142.93 51.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.8 tp -117.13 152.42 34.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.54 -29.2 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -87.75 86.2 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -49.74 -44.7 48.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.76 -32.82 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.39 -13.61 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.82 -35.17 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.33 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -54.55 45.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.8 m -55.95 -41.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -56.23 -49.48 74.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.3 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -53.83 -50.11 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 tt -49.25 -55.71 11.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.72 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -71.38 -24.08 62.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.777 0.323 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.2 119.42 33.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.02 113.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.53 -49.11 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -176.11 -173.61 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -133.92 148.87 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -138.86 168.07 20.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.19 38.69 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -165.86 138.53 3.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -40.28 5.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -48.23 80.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.98 -51.38 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.64 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.36 -53.3 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.68 -47.79 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -57.54 -61.61 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -57.8 -21.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -70.56 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.1 p90 -60.76 -31.12 70.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -38.42 61.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.7 93.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -76.72 -12.63 60.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -89.46 -0.44 57.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.63 -4.51 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 t -108.97 112.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.09 129.64 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.77 161.28 24.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.429 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.1 145.76 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.52 143.4 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 103.25 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.903 0.382 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -86.64 126.55 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.6 t -99.83 118.66 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.59 141.22 51.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 38.3 tp -112.58 153.28 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.406 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -103.55 -27.74 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -89.83 88.6 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.79 -44.05 48.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -55.04 -33.67 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.06 -13.9 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.36 -38.1 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.55 -47.72 74.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -54.88 42.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -57.37 -38.78 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -58.24 -50.74 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.98 -58.45 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.36 -52.14 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -52.84 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.95 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -73.87 -23.41 59.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -85.71 -36.21 20.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.415 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -119.86 122.42 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.18 128.13 35.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.2 mm -88.39 -44.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -175.65 -177.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -134.47 128.41 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -120.21 173.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.12 31.37 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.69 144.0 12.91 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.65 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.86 -52.3 42.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.75 -55.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.55 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -55.06 -50.32 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.26 62.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.22 -62.22 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -56.62 -23.73 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -69.42 -59.47 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -63.66 -22.85 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.09 -38.63 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.83 -43.24 75.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -69.01 -12.75 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -94.31 -4.36 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.37 13.61 30.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.0 t -126.51 111.68 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.3 133.6 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 mt -127.76 162.12 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.405 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.76 147.45 49.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.4 mm -125.12 143.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.93 104.54 9.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -79.24 125.76 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.46 121.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.559 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 145.21 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.2 tp -117.82 153.13 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.72 -28.92 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -88.9 86.49 6.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.63 -43.75 46.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -34.72 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -88.07 -13.5 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.23 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -66.48 -51.08 60.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -54.88 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.53 -39.68 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -51.96 67.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.07 -45.46 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -54.66 -53.46 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.89 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -75.47 -24.67 56.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.76 121.54 39.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.65 123.76 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 mm -82.5 -45.63 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -175.9 -177.39 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -134.26 127.38 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -118.81 175.77 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.41 33.79 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -161.22 143.44 9.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.61 2.207 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -51.25 -49.47 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.8 t -66.94 -56.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.95 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -57.14 -50.9 71.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.72 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.5 -61.06 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -58.91 -23.01 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.23 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -23.35 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.34 -40.25 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -41.63 85.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -72.54 -12.76 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.45 -4.37 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.39 13.39 30.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -127.88 112.83 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -80.98 133.66 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.4 mt -128.04 161.7 28.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.411 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.45 146.83 50.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.8 mm -125.4 144.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.92 103.98 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -80.58 126.55 31.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -99.86 123.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.562 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.77 144.34 50.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 46.3 tp -116.17 152.66 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -101.08 -29.11 12.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -91.35 87.78 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.71 -42.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.41 -34.52 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -89.23 -13.55 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -35.38 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -52.83 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.6 m -59.2 -40.4 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -51.61 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -60.96 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.72 -45.03 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 tt -55.0 -57.81 10.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.76 -34.45 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -75.07 -25.78 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -87.2 -31.82 20.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.45 119.32 6.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.7 mm -78.43 -47.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 t -176.02 -177.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -134.14 132.99 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -121.99 166.14 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.19 22.47 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -145.0 142.79 18.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -49.17 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.13 -53.08 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.05 -52.7 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.2 -46.33 68.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.35 -60.21 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -58.41 -21.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -72.62 -59.99 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -23.96 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mmt -80.74 -41.17 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.05 94.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -71.94 -12.91 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -92.11 -1.73 57.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.09 -3.43 51.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 t -109.39 113.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mm -81.34 133.69 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.68 160.92 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.89 147.42 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.9 mm -125.31 144.26 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.98 103.48 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.88 0.372 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -85.22 127.36 34.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.7 t -99.82 120.48 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.45 144.75 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 tp -117.64 152.8 34.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.65 -27.47 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -89.4 88.96 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -49.34 -43.72 43.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -33.95 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.03 -13.96 37.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.423 ' C ' HG21 ' A' ' 48' ' ' VAL . . . -52.84 -27.14 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.8 -52.71 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -58.25 -35.68 72.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 35.0 m -73.76 -42.38 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -57.97 -42.27 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.76 -58.76 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.34 -40.43 71.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.92 -51.03 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.32 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -81.83 -24.87 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 120.41 36.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 119.33 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.9 mm -78.56 -47.35 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -175.87 -177.96 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -134.41 127.25 31.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -115.9 163.66 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.27 25.79 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -148.08 140.63 14.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.26 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.08 -46.67 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -65.67 -53.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.42 -62.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.04 -47.99 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.35 -60.13 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -58.62 -22.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -72.28 -59.81 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -24.31 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 2.1 mmt -79.69 -42.15 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.09 96.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.09 -12.92 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.23 -1.68 56.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.17 -3.78 51.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 t -109.34 113.23 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 51.3 mm -81.22 133.55 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.33 160.81 31.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.406 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.09 147.28 50.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 mm -125.33 144.75 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.7 103.73 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -84.12 126.08 32.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 t -99.71 120.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -128.65 144.9 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 tp -117.82 152.67 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.14 -27.79 12.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -88.99 88.89 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -49.42 -43.75 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -34.55 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.4 -13.91 39.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.421 ' C ' HG21 ' B' ' 48' ' ' VAL . . . -52.91 -26.93 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.84 -52.82 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 35.7 m -73.74 -42.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -57.85 -41.65 82.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.41 -59.23 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -55.24 -38.99 69.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.45 -50.4 69.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.1 68.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -82.44 -26.84 32.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -85.51 -37.36 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.755 0.312 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.6 119.53 33.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.01 116.65 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.03 -49.37 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t -175.94 175.12 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -123.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -119.0 175.34 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.45 35.01 3.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.96 143.9 5.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -46.67 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -50.62 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.38 -56.99 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.39 -57.43 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -58.69 -51.34 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.67 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.046 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -57.35 -60.34 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 m -58.99 -21.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.48 -59.96 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.3 p90 -63.03 -29.78 71.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -38.78 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.08 85.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -71.13 -12.68 61.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -92.19 -1.1 57.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.83 -4.7 53.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 t -107.09 112.24 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.342 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.67 133.52 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 mt -126.94 160.55 30.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 147.01 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.5 mm -125.03 143.3 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.61 103.18 8.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -83.33 124.65 30.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 t -99.7 118.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -125.69 144.97 50.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 tp -117.54 152.39 35.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.57 -27.71 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -88.44 85.25 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -50.19 -44.01 52.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.88 -33.43 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -89.23 -13.44 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.02 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.4 -50.27 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -56.31 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -55.19 -37.26 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -60.03 -52.35 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.75 -54.98 40.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.13 -47.74 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -52.22 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.48 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -69.06 -20.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.46 120.57 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 116.89 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.9 mm -73.12 -50.44 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.6 t -174.87 174.52 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -124.78 134.43 52.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -122.26 174.24 7.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.39 35.07 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -163.88 142.46 6.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -45.62 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.93 -55.88 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.66 -56.02 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -59.45 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.86 -47.54 67.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -57.99 -59.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.6 m -60.03 -21.86 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.64 -59.59 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -61.23 -31.08 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.4 ' HG3' ' HB ' ' B' ' 25' ' ' VAL . 0.1 OUTLIER -76.73 -37.06 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.57 91.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -74.75 -12.76 60.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -90.12 -0.78 57.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 -4.68 54.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.4 ' HB ' ' HG3' ' B' ' 20' ' ' MET . 13.5 t -107.89 112.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.105 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -80.93 133.59 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.68 161.57 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.97 146.55 50.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mm -125.67 144.14 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.22 103.64 8.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -87.03 125.66 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -99.54 118.66 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.554 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.53 141.91 51.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.54 152.99 29.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.69 -27.49 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -89.72 88.15 7.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.85 -44.66 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.19 -32.36 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -88.55 -14.25 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -39.13 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.84 -46.81 80.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -55.47 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.66 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -59.52 -51.74 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.0 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -55.04 -50.4 69.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -51.4 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.92 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.59 -21.15 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -87.07 -41.5 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.48 119.14 32.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 116.93 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.8 mm -74.57 -51.83 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -176.22 -173.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -134.95 148.63 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -129.64 160.93 31.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.21 16.59 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -147.29 140.09 14.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -49.43 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -52.26 -47.72 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.75 -50.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.45 -54.86 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.06 -50.83 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.34 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.2 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.13 -22.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.89 -59.57 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -22.59 66.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -39.84 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.65 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.56 -12.83 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -94.38 -4.1 49.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.34 12.09 34.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 t -124.95 111.54 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -81.11 132.41 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.74 161.04 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.406 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mm -118.46 143.26 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.03 103.41 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.05 128.93 35.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 t -99.39 121.17 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.84 143.29 50.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.1 tp -115.85 153.01 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.89 -28.04 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -88.76 87.33 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -49.5 -44.01 45.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.32 -34.41 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.31 -13.76 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.02 48.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.61 -48.43 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -53.66 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 m -57.93 -38.89 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.05 -52.24 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.45 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -54.59 -50.86 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.25 -55.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -65.75 -24.16 66.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 119.77 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 120.35 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mm -78.62 -46.64 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -175.61 -177.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 65.5 p -134.41 128.24 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.26 161.33 19.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.24 29.33 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.32 140.04 13.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.727 2.284 . . . . 0.0 112.316 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -55.97 -45.01 79.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.51 -49.57 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -55.19 -49.2 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.91 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -61.7 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -57.09 -25.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.16 -58.95 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.54 -24.47 67.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -38.33 45.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -68.98 -13.03 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.74 -4.7 49.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.2 14.1 29.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.0 112.42 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.17 133.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.42 162.49 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.87 148.47 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mm -125.28 144.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.29 103.78 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.84 126.92 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 t -99.68 121.43 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.58 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.99 138.56 52.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 57.9 tp -107.98 155.0 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.53 -28.9 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.12 89.76 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.71 -43.25 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.66 -33.39 60.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.84 -13.68 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.29 -36.6 32.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.25 -47.58 73.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -54.12 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 24.3 m -57.22 -39.4 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -58.36 -53.92 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.28 -57.95 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.26 -51.12 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.99 -54.85 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.54 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -64.12 -27.78 69.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.17 -35.36 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -119.86 124.52 46.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.5 129.5 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.5 mm -91.94 -44.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 t -175.73 -179.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -134.5 123.24 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -115.22 171.79 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.27 49.15 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -172.06 143.91 1.4 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -51.22 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.86 -56.0 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.29 -59.84 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -57.49 -52.02 67.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.33 -48.96 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.01 -62.32 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -56.74 -22.56 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.36 -59.75 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -21.99 66.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.12 -42.68 31.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.77 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -95.44 -4.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 14.71 27.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -127.92 112.2 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.75 131.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -124.19 160.39 27.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.94 141.06 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -116.59 142.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.86 103.95 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -83.42 126.78 33.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 t -100.7 120.41 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.25 144.55 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.3 tp -117.26 153.17 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.72 -29.84 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -87.49 87.09 7.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -49.3 -45.06 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.97 -33.59 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -88.05 -13.56 41.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -35.02 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.1 -50.03 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -54.59 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m -55.94 -40.5 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -57.73 -50.88 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.99 -60.56 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.93 -48.99 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tt -50.74 -58.28 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -36.52 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -69.88 -26.5 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.96 122.17 40.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 121.47 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.9 mm -81.22 -46.31 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -176.05 -178.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -134.02 124.33 26.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -114.75 171.25 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.76 46.54 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -171.96 142.51 1.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -48.73 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.91 -48.45 64.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.36 -54.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.92 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.76 -52.37 65.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.44 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -57.6 -62.05 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -57.88 -22.65 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.39 -60.32 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.02 -24.54 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.4 -38.93 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.05 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -74.13 -12.56 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -91.08 -3.87 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 10.24 39.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 t -125.24 112.8 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.58 133.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.02 161.24 29.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.46 147.01 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.3 mm -124.53 144.02 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.15 103.93 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -86.39 128.53 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 t -101.76 123.17 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.592 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.7 141.27 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 tp -108.93 154.79 21.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.62 -31.86 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.2 90.15 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -49.79 -42.47 46.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.77 -33.12 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.92 -13.95 37.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.9 -35.33 23.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.66 -47.04 73.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.02 62.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.44 -38.48 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.27 -53.76 54.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -58.95 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.71 -45.89 67.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.76 -56.86 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.62 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -73.2 -24.84 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -86.21 -37.31 18.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.792 0.33 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 tp -120.08 121.94 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.41 127.16 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.7 mm -86.31 -44.81 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -173.85 -177.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.28 125.2 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -114.82 173.35 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 44.02 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.46 143.49 0.86 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.75 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -50.51 -54.12 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.56 -54.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.77 -62.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -53.75 -43.73 69.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.86 -58.13 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -50.31 -50.35 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.9 t -66.68 -23.2 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.57 -59.95 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.1 p90 -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.413 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -71.77 -38.14 70.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.58 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -68.02 -12.68 61.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -92.41 -1.68 56.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 -4.36 53.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.413 ' HB ' ' HG3' ' A' ' 20' ' ' MET . 10.5 t -108.2 112.04 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.328 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.36 132.38 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.1 mt -126.14 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.12 151.1 49.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mm -125.97 144.05 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.84 103.74 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.61 125.78 30.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.36 122.08 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.87 142.93 50.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.4 tp -116.0 153.25 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.3 -31.61 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -87.48 86.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -49.97 -44.19 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.76 -32.19 59.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.06 -13.59 35.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.6 -35.86 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.41 -49.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.7 m -55.47 -39.62 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -58.28 -50.31 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.6 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -55.37 -46.65 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' B' ' 16' ' ' PHE . 10.2 tt -51.55 -54.74 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.57 76.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -70.62 -24.5 62.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.06 123.18 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.73 124.15 18.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.4 mm -83.29 -47.45 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.9 t -171.19 -176.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.15 125.27 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -114.63 176.03 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.28 48.67 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -176.47 143.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -51.79 -49.05 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.86 -53.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.84 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -55.96 -43.67 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.6 -58.98 5.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.418 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 8.6 m-85 -50.2 -49.98 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.0 t -66.58 -23.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -69.15 -59.61 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.54 -33.31 74.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.3 tpt -71.48 -39.17 71.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.72 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -71.42 -12.66 61.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -90.79 -1.03 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.49 54.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 t -109.19 113.03 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.97 127.51 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -121.96 157.89 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.64 150.73 49.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mm -125.46 145.19 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.63 103.83 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.88 127.21 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.25 125.59 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.585 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -132.2 142.88 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 tp -114.56 152.42 31.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.23 -29.28 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.14 88.28 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -49.7 -42.83 46.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -32.86 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.36 -13.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.06 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -65.61 -47.43 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -54.85 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.9 m -56.47 -38.32 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -59.52 -51.01 71.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.96 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.15 -46.1 79.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.6 -54.37 28.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.6 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -68.14 -23.48 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -86.71 -44.85 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.2 123.15 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.31 125.95 25.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' B' ' 37' ' ' VAL . 12.0 mm -91.38 -48.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -177.12 -176.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 p -135.02 149.03 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -128.04 163.07 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.16 144.75 9.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -48.2 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.62 -50.23 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.09 -53.54 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.54 -56.58 9.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -59.0 -51.13 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -47.38 64.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.34 -61.26 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -57.59 -21.9 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -70.49 -59.33 2.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -64.71 -22.67 67.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -41.33 26.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.06 82.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -69.48 -13.15 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -95.57 -4.29 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.1 16.62 22.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -128.36 111.41 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -81.66 133.55 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.1 mt -126.41 160.0 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 134.29 49.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -108.51 143.32 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.64 102.83 8.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.2 125.72 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -100.46 119.88 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.7 140.36 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 tp -109.96 152.53 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.68 -28.22 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -89.61 87.28 6.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.53 -44.07 46.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -54.88 -33.54 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -13.59 40.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.95 -36.48 38.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -65.3 -49.14 70.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -56.11 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.6 m -54.84 -39.35 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.61 -52.61 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -58.33 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.24 -47.66 71.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.1 tt -51.65 -57.8 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.35 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.23 -21.98 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.762 0.315 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.47 121.67 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.13 121.59 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 26.7 mm -80.2 -47.35 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -176.07 176.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -127.32 130.66 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -118.19 171.26 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.13 38.65 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.34 143.03 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -48.36 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.406 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.84 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.3 t -68.27 -55.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.4 -58.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -57.62 -49.82 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.82 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.68 -23.98 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.06 -59.88 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.08 -39.93 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.31 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -72.45 -12.61 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -93.26 -4.38 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.25 14.48 28.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.09 112.42 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.87 133.68 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.3 mt -127.27 161.0 29.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 138.44 53.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.5 mm -116.2 143.38 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 103.04 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -80.55 122.12 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.511 HG23 ' HB ' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -99.02 131.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.614 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.04 149.78 52.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 34.8 tp -113.14 153.94 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.87 -31.49 11.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -88.29 90.65 8.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -48.99 -45.57 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.66 -31.68 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.41 -14.1 41.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.03 -37.42 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.83 -44.36 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -54.89 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.4 m -55.46 -40.24 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -59.45 -53.48 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.73 -60.0 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.37 -45.24 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.05 -57.71 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.42 -39.69 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.28 -37.55 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HE1' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.1 tp -119.97 123.47 43.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.15 128.48 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.8 mm -88.82 -45.27 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -175.71 179.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -131.8 139.64 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.75 161.54 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.05 32.2 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -156.48 141.0 11.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.737 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -51.02 -46.05 61.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.04 -55.53 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.55 -59.98 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -56.19 -45.75 79.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.91 79.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.21 -60.63 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -58.98 -23.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.02 -59.74 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -25.22 68.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 mmt -76.86 -43.47 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.08 95.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -70.46 -12.78 61.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -96.49 -3.61 42.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.72 16.67 23.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.5 t -127.84 112.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -82.29 133.17 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 mt -130.26 162.34 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 146.78 50.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.6 mm -124.94 144.1 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.98 103.93 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -86.47 128.55 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 t -99.66 122.42 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.73 148.84 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.3 tp -122.29 152.24 40.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.87 -31.97 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -88.01 88.52 7.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -48.87 -41.12 32.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -53.35 -37.53 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.18 -14.14 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.434 ' C ' HG23 ' A' ' 48' ' ' VAL . . . -53.13 -26.25 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -78.39 -53.32 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -58.19 -35.39 71.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 34.6 m -74.05 -40.67 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.33 -43.01 92.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.87 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.08 -43.65 78.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -51.51 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.14 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -77.51 -26.2 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.9 tp -119.77 123.58 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.18 128.46 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.7 mm -89.61 -45.02 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -175.75 -179.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -133.12 138.97 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -132.8 161.19 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.94 35.27 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -157.37 140.49 10.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.5 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -52.54 -46.28 66.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.83 -54.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -60.25 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -57.05 -44.85 83.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.1 78.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -58.84 -57.59 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.48 -23.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.71 -60.02 2.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -25.59 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.71 -44.94 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.78 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -69.81 -12.79 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.53 -3.73 42.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.64 16.96 22.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -128.33 112.07 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.8 mm -83.14 125.99 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.29 163.25 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.421 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.21 147.0 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -124.74 144.68 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.08 103.69 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.38 127.31 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 t -99.35 122.97 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.548 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.68 146.41 52.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.4 tp -119.5 152.7 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.402 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -100.07 -31.69 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -88.37 88.33 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -48.88 -41.36 33.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.0 m -53.36 -37.06 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.95 -13.68 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.431 ' C ' HG23 ' B' ' 48' ' ' VAL . . . -53.52 -26.21 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -78.3 -53.26 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -57.89 -35.38 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.467 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 35.4 m -74.33 -40.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.44 -55.68 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -56.29 -42.79 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -51.04 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.74 -32.83 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -78.02 -28.5 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.72 -35.86 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.775 0.321 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.63 122.35 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 119.84 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.7 mm -79.03 -47.0 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 t -175.82 -179.34 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.35 126.62 31.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -114.88 159.13 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.99 18.9 19.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.39 142.6 17.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -51.02 -50.57 58.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.97 -51.8 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.43 -63.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -53.9 -43.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -55.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -52.11 -47.6 65.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.23 -27.9 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.14 -60.32 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -26.26 68.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 mmt -76.19 -38.84 56.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.51 78.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -69.34 -13.04 62.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -93.35 -4.35 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 13.8 30.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.22 112.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.29 133.14 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -128.0 162.47 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.05 150.77 50.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.9 mm -125.61 145.41 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.99 104.73 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -95.45 127.85 41.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 t -99.01 121.18 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.79 144.36 51.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.2 tp -117.87 152.86 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.2 -29.35 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -86.85 86.91 7.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -49.79 -44.71 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -54.82 -33.35 61.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -13.45 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.27 -34.24 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.82 -50.64 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -54.27 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.28 -41.47 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -51.36 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.53 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -52.29 -48.8 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 tt -51.56 -52.51 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.89 72.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -25.53 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.11 122.59 41.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 120.71 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.0 mm -79.16 -47.09 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t -175.99 -179.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.18 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -114.89 163.38 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.14 29.08 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.11 140.98 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -53.65 -48.24 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.63 -50.37 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.77 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -54.27 -46.56 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -53.31 55.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.79 -51.5 55.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.51 -29.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.34 -59.51 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -60.76 -27.8 68.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.42 ' HG2' ' CE2' ' B' ' 19' ' ' TYR . 0.5 OUTLIER -75.23 -38.84 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.02 82.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -69.12 -13.0 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -94.06 -4.11 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.02 13.16 32.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 t -128.42 112.56 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -82.81 133.19 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.8 mt -126.73 163.76 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 149.95 50.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.2 mm -125.58 144.99 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.07 104.75 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.851 0.358 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -91.19 128.18 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.6 t -98.3 121.81 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.577 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.12 144.27 51.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 tp -117.79 153.63 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.07 -27.84 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -89.25 88.88 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -49.24 -43.67 42.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.3 m -54.22 -34.9 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.95 -13.52 41.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.421 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -53.92 -27.92 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.34 -51.05 10.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.72 -35.91 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.49 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 35.3 m -73.45 -41.0 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -43.16 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.39 -56.57 9.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -57.46 -41.37 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.14 -53.12 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.85 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -75.25 -25.93 58.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -86.31 -41.28 14.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.3 123.13 42.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 126.35 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.4 mm -87.32 -46.07 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -175.7 -177.3 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 p -135.27 132.3 37.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -122.0 171.39 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.16 44.63 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -175.29 142.09 0.68 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -45.9 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -50.74 -53.2 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.96 -53.67 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -62.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -51.91 -47.87 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -59.1 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.01 -54.03 22.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.31 -23.3 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -69.3 -59.74 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.89 -24.08 67.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.92 -41.42 43.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.41 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 t -67.48 -12.83 61.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -94.95 -2.44 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 1.12 51.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 t -112.75 112.09 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.34 125.34 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.74 162.81 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 150.34 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mm -126.19 145.32 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.79 105.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.899 0.381 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -80.53 128.83 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 t -99.22 123.09 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.583 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.6 145.96 52.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.0 tp -118.66 153.0 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -100.05 -31.53 11.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -89.27 88.7 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -48.7 -39.11 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.5 -36.78 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -85.05 -14.71 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.86 -40.19 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -62.72 -52.14 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -59.79 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.81 -37.32 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -61.37 -54.35 44.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -55.11 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.72 -48.55 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -50.42 61.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.66 90.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -71.47 -20.05 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.82 124.75 46.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.57 129.19 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.6 mm -90.51 -44.03 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.4 t -176.12 -178.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 19.4 p -132.77 133.52 43.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -128.12 167.24 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.9 51.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.51 141.38 0.75 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.68 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -50.94 -48.59 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.37 -54.32 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.78 -62.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -53.94 -51.73 62.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.04 -49.84 49.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -56.93 -50.99 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -29.93 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.99 -59.98 2.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mmt -72.32 -44.06 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.35 80.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -63.07 -16.26 59.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -90.19 -2.91 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.1 54.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 t -110.93 114.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.7 124.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -118.66 161.93 19.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.412 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -129.71 150.53 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.8 mm -125.35 144.18 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.17 104.94 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -81.26 126.83 32.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.4 t -99.33 124.2 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.82 146.17 52.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 36.9 tp -117.57 153.45 33.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.5 -28.74 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -90.61 88.95 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.78 -40.02 27.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.57 -36.62 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -85.41 -14.41 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.08 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.57 -47.99 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -53.82 -37.22 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -61.39 -55.57 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -55.69 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -55.4 -48.16 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -49.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -67.09 -22.82 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -87.66 -34.65 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 tp -119.75 122.94 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.57 125.3 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.8 mm -84.88 -47.45 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 t -173.91 179.34 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -130.96 127.95 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -118.03 174.51 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.85 47.96 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -175.94 140.68 0.57 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -40.55 5.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -56.26 -49.76 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 t -65.76 -53.11 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.21 -62.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -55.19 -48.92 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.5 -58.21 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -50.8 -50.77 55.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.72 -21.86 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.94 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -61.99 -31.67 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.8 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.408 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -72.9 -40.71 65.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -72.28 -12.63 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -91.88 -0.78 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.0 -4.29 52.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.408 ' HB ' ' HG3' ' A' ' 20' ' ' MET . 10.5 t -110.59 112.24 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.14 132.66 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 mt -125.28 163.44 22.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.49 150.96 51.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mm -125.55 144.18 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.33 103.77 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.04 128.06 35.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 t -99.56 120.32 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.93 142.68 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 tp -115.0 152.93 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.01 -29.42 12.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -88.6 87.02 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -49.34 -43.63 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -34.61 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -87.43 -13.85 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.42 -36.5 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.86 -49.35 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -53.31 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -58.95 -38.49 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.02 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.68 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.08 -47.98 74.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -53.59 48.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.59 71.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -72.17 -24.09 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -119.59 119.88 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 119.37 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -76.56 -47.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.3 t -174.33 176.0 2.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -127.19 126.72 43.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.06 171.19 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.82 47.68 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -174.12 142.16 0.85 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -45.53 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -52.48 -50.1 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.53 -57.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.56 -58.02 4.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.68 -45.05 90.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.8 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.65 -58.16 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.85 -21.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.76 -59.85 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.1 p90 -62.78 -31.77 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -37.74 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.39 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -73.75 -12.8 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -90.35 -1.08 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.68 -4.36 53.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.35 112.38 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.31 133.4 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 mt -126.7 162.74 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.15 148.02 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -125.59 144.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.16 103.9 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.09 129.33 35.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 t -99.03 122.57 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.591 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.44 143.83 51.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.7 tp -115.89 153.5 31.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.43 -30.87 11.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -90.45 89.25 7.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.21 -42.5 40.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -33.65 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -88.27 -13.95 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -38.73 37.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.08 -45.58 80.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -53.88 52.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.9 m -57.82 -38.29 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -52.39 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.05 14.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.92 -44.71 78.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -50.8 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.38 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -70.44 -20.41 62.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -87.68 -36.79 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 122.44 41.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.37 122.29 12.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.5 mm -83.11 -45.79 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 t -175.73 -179.28 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -134.02 135.02 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -127.81 170.35 12.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.02 40.86 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -165.83 140.69 3.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.34 3.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -54.66 -50.7 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.86 -55.64 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.64 -62.63 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -54.63 -43.22 72.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -57.38 12.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -51.32 -47.55 62.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 100.0 t -67.12 -26.91 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -68.15 -61.02 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -26.78 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.49 -41.94 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -42.67 87.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -71.18 -12.58 61.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -92.78 -4.12 53.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.21 12.24 34.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -127.71 113.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.2 mm -80.69 129.03 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.69 161.19 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.51 150.96 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -125.82 145.83 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.59 104.31 8.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.29 126.12 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 t -99.64 120.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.569 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.98 145.81 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.6 tp -118.81 152.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.27 -27.62 12.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -88.89 88.23 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.24 -43.7 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -53.55 -35.13 60.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -88.21 -14.14 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' C ' HG23 ' A' ' 48' ' ' VAL . . . -53.16 -26.22 16.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -78.73 -54.61 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.4 -35.94 68.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 35.4 m -74.54 -40.94 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.2 -41.99 85.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.65 -57.02 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.47 -44.17 76.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -50.94 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.8 66.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -80.05 -26.76 39.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.03 121.56 39.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 120.75 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.07 -46.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.8 t -176.09 176.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -128.23 130.96 48.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -124.33 166.6 15.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.99 36.29 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.47 141.58 8.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -47.85 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -48.77 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.92 -55.61 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.31 -60.05 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -56.91 -44.12 82.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.8 83.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.33 -59.8 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 m -60.04 -24.3 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -68.88 -60.63 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mmt -76.88 -40.85 46.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.49 85.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -72.7 -12.55 61.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -93.25 -4.27 52.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 13.95 29.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 t -128.11 112.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.2 133.59 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 mt -128.56 162.86 26.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.14 146.57 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.1 mm -125.13 144.09 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.7 103.67 8.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.96 127.73 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 t -98.77 123.0 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.582 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.76 146.48 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 36.0 tp -118.7 153.49 34.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.9 -27.92 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -89.89 89.58 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -49.72 -44.32 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -53.9 -32.44 53.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -89.78 -14.61 34.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.416 ' C ' HG23 ' B' ' 48' ' ' VAL . . . -51.17 -28.84 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -77.72 -51.29 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.02 -35.61 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 34.0 m -74.9 -39.17 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -59.21 -45.81 90.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.48 -54.15 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.5 -46.62 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -49.85 76.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -34.2 68.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -74.41 -31.73 62.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -80.04 -32.98 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 tp -119.92 123.95 44.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 130.37 46.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -92.59 -45.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -175.12 -174.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -134.59 127.26 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.14 162.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.5 39.32 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -166.6 141.19 3.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 -51.79 -51.05 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.55 -51.22 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.09 -62.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -53.5 -47.32 69.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -58.73 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.26 -52.54 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.18 -24.32 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.08 -59.4 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -63.96 -25.55 68.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -41.4 53.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.63 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.4 t -67.85 -12.77 61.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -94.25 -3.66 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.05 7.01 47.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -121.08 113.16 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -80.75 128.64 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.44 162.35 19.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.37 150.8 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.9 mm -125.08 142.91 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.81 103.29 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.56 126.28 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.34 119.24 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.55 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.6 143.73 51.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.5 tp -116.63 151.88 35.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.96 -29.51 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -87.56 86.41 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -49.63 -44.7 47.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -34.34 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.98 -13.8 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.41 -35.56 39.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -66.22 -48.79 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -54.44 47.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.4 m -56.51 -39.33 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -58.74 -52.14 66.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -57.4 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.56 -48.3 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HG ' ' CE1' ' B' ' 16' ' ' PHE . 10.4 tt -50.65 -52.39 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.55 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -68.23 -25.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.74 119.57 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.14 117.85 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 26.9 mm -75.26 -48.55 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.3 t -176.2 -175.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -134.7 141.52 46.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -131.29 161.57 32.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.45 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.96 139.33 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -53.03 -46.34 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.43 -52.82 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.39 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -56.66 -44.35 81.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.78 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.413 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 3.1 m-85 -58.57 -58.28 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -59.58 -25.73 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.84 -59.9 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.3 OUTLIER -63.72 -25.06 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -40.31 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.63 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.7 t -70.18 -12.78 61.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -93.27 -4.18 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.14 11.99 35.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -126.48 112.74 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.3 mm -80.52 133.39 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.04 161.45 27.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.415 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.01 146.1 50.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.7 mm -125.21 143.3 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.01 103.12 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.94 0.4 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.46 130.39 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.85 127.32 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.593 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.98 141.38 47.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.4 tp -109.57 153.95 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.7 -32.23 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -90.93 89.71 7.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.16 -40.29 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -33.94 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -89.28 -14.35 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.9 -38.29 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -67.7 -46.33 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -52.79 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.41 -39.07 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.33 -51.96 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.33 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.94 -48.81 75.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -50.52 -51.11 50.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.46 88.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -67.31 -25.5 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -87.38 -43.83 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.66 118.68 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.81 118.11 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.2 mm -75.48 -50.02 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -176.37 173.53 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p -122.13 143.79 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -133.68 152.22 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.93 28.49 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -152.23 138.91 12.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -49.13 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.61 -62.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -53.33 -43.22 67.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.26 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.09 -62.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.65 -26.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -71.15 -60.16 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -31.51 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.424 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -75.6 -38.74 58.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.81 95.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -77.8 -12.41 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -90.09 0.36 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 -4.81 54.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HG3' ' A' ' 20' ' ' MET . 13.9 t -108.86 112.79 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.56 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.7 mt -127.29 161.74 27.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.415 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.3 OUTLIER -127.12 144.49 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -117.91 142.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.34 103.19 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.893 0.377 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.33 126.8 35.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.28 119.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.551 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.83 143.0 51.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.6 tp -115.74 150.62 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.45 -30.49 11.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.069 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -87.05 89.38 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.52 -43.86 35.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -33.74 66.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -84.78 -14.89 46.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.92 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.01 -50.47 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.1 m -54.84 -37.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -59.57 -53.02 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 -56.64 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.91 -48.88 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -50.53 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.18 93.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -68.45 -19.86 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 119.69 33.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.79 119.04 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.8 mm -75.79 -48.65 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.0 t -175.81 174.65 2.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 p -124.26 132.85 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -125.55 161.98 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.7 35.6 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -159.77 139.5 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -46.45 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.37 -49.1 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.95 -53.3 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.48 -56.92 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.64 -51.07 71.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.84 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.2 -61.12 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 25.7 m -58.13 -21.51 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -71.08 -59.91 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.511 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -60.84 -30.8 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -37.18 55.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.78 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -76.92 -12.6 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -90.08 -0.6 57.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.57 -4.17 53.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.6 112.35 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.3 133.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.3 mt -126.68 161.4 28.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' THR . . . . . 0.412 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.69 146.69 50.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.6 mm -125.36 143.55 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 103.29 8.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.4 127.69 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.9 t -100.6 119.0 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.593 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.95 139.02 53.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 44.0 tp -108.2 153.28 23.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.42 -29.45 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -90.53 92.17 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -48.63 -43.62 36.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -33.65 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -84.06 -14.98 49.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.35 -38.68 63.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -64.87 -46.74 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -56.72 18.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 24.2 m -55.41 -40.53 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -57.22 -57.09 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -61.25 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -50.2 -47.19 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.0 -50.8 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.22 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.53 -17.97 55.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -87.5 -37.12 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.982 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.405 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.779 0.323 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 tp -119.91 121.79 39.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.61 126.99 29.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.3 mm -86.03 -48.37 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 t -176.45 -174.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -135.56 149.12 49.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.21 170.02 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.11 17.46 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -146.32 141.03 15.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.37 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -46.73 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.31 -55.65 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.86 -61.13 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.88 -49.5 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.45 -45.79 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.54 -62.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.2 -23.02 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.51 -59.62 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.72 67.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 mmt -76.19 -45.63 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.34 -12.67 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -96.75 -3.49 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.77 16.91 22.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.1 t -127.86 112.14 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -82.65 133.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 mt -131.89 161.83 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.98 147.21 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.7 mm -124.93 144.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.61 103.91 8.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.879 0.371 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -82.21 128.32 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 t -99.3 123.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.581 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.57 145.99 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 tp -116.69 154.97 29.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.8 -30.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 91.48 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -49.0 -41.36 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -53.71 -36.98 62.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.45 -14.19 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' C ' HG21 ' A' ' 48' ' ' VAL . . . -52.89 -27.25 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.75 -52.63 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -59.01 -35.47 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 31.8 m -73.9 -40.66 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.59 -43.24 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.45 -57.36 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -56.08 -39.66 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -62.35 -51.76 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.93 -30.84 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -78.39 -29.19 47.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.786 0.326 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tt -119.95 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 122.98 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mm -83.82 -46.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -175.4 -177.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -134.6 128.12 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -117.79 170.49 8.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.8 34.43 4.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.82 141.22 8.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -47.75 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.0 64.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -68.35 -55.21 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.8 -58.84 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.26 -47.67 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.45 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.76 -60.03 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.31 -23.81 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.46 -59.63 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -26.6 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.1 mmt -74.44 -45.3 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.01 98.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -69.07 -12.57 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -98.04 -3.68 37.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.69 17.26 21.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 64.0 t -127.52 112.07 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -84.73 127.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -123.62 163.03 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 148.38 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.2 mm -124.76 145.94 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.67 103.46 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.859 0.362 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -85.68 125.45 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 t -99.36 123.38 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.569 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.79 144.86 51.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -115.9 154.23 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.405 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -102.62 -30.85 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.28 90.32 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -49.49 -39.93 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -53.52 -36.43 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.6 -14.35 40.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.436 ' C ' HG21 ' B' ' 48' ' ' VAL . . . -52.01 -26.62 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.57 -53.7 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.1 OUTLIER -57.91 -35.45 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 34.0 m -73.84 -41.35 53.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -43.0 89.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.49 -56.88 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.79 -38.65 72.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -62.81 -52.44 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.24 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -78.8 -28.44 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -82.33 -37.27 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.54 119.35 32.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.86 116.59 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 mm -73.97 -48.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 t -174.03 -179.91 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -131.16 130.47 43.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -120.03 168.18 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.79 35.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -163.57 143.44 6.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -50.89 -52.0 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.23 -56.49 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.77 -59.19 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.12 -52.96 62.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.78 61.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.86 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.34 -22.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.74 -59.28 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.46 -22.63 67.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.55 -38.37 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -42.25 74.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -70.29 -12.5 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -94.92 -4.27 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 14.63 27.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.0 t -126.4 111.38 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.25 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.7 mt -128.28 162.3 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 146.32 50.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.0 mm -123.94 142.77 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.08 103.5 8.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.64 101.28 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -56.24 147.64 20.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.55 109.01 4.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -151.35 126.58 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 m -109.6 102.85 11.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.89 126.22 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 t -99.48 118.66 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.88 143.57 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.4 tp -116.35 152.32 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.06 -28.25 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -87.81 87.9 7.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -48.68 -45.08 38.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -34.67 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -13.53 43.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' C ' HG21 ' A' ' 48' ' ' VAL . . . -55.38 -24.61 30.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -78.82 -58.37 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -54.82 -35.82 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 45' ' ' ALA . 32.8 m -73.29 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -58.13 -42.66 86.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -56.94 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.06 -44.1 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.54 -51.55 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -33.04 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.43 -26.75 46.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.66 -38.69 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.15 -40.49 73.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -77.81 -2.07 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -113.64 72.82 1.99 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.672 0.749 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 95.97 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.42 -48.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.49 -54.88 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.18 -30.8 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.829 0.347 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.43 120.86 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 116.39 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -73.02 -48.88 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -175.73 166.14 3.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -115.75 132.26 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -123.9 166.66 15.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.29 41.83 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -167.82 141.34 2.78 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.74 1.11 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -47.65 65.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.55 -56.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -58.39 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -57.66 -49.56 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.21 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -59.4 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -58.57 -22.34 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.7 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -24.2 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mmt -77.63 -43.52 31.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.88 95.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.31 -12.7 61.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -95.23 -4.0 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.38 23.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 44.1 t -128.21 112.46 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.188 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.5 mm -81.68 133.22 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.7 mt -130.46 162.42 29.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.405 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 145.89 50.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 44.3 mm -124.92 143.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.61 103.63 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.81 111.61 23.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -68.96 156.47 38.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.41 111.86 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -157.11 131.01 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m -110.61 101.32 9.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.53 127.41 34.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -99.7 119.51 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.94 141.26 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 tp -112.68 153.32 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.406 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -103.26 -28.23 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -90.63 88.97 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.54 -43.6 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -33.59 61.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -13.82 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.48 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -68.24 -48.15 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -51.84 68.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.6 m -60.18 -39.76 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -59.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.79 -45.71 63.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 -56.56 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -76.25 -23.95 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -85.77 -37.17 19.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.74 -37.78 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -78.31 -2.38 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -114.1 71.98 2.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 95.48 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.52 -50.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.47 -59.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp -48.19 -37.0 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.82 118.92 31.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.9 115.72 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.21 -47.23 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -175.46 -177.86 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -133.99 126.27 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -117.06 166.27 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.09 50.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -175.62 143.01 0.68 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.331 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -51.13 -48.42 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.62 -55.32 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.9 -60.19 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.6 59.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -57.89 -62.36 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.87 -22.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.05 -59.28 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.51 -22.47 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -41.03 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.8 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.03 -12.81 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -95.12 -3.22 48.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.97 6.83 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 t -118.67 111.73 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.0 132.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.56 162.06 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 145.83 50.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.2 mm -123.48 143.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.06 103.01 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.98 125.35 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -135.26 88.49 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -77.19 151.87 35.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -134.52 -176.47 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 m -160.54 96.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.21 123.6 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 t -99.84 117.25 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.57 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.14 142.68 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 tp -114.66 153.49 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.61 -28.67 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -88.3 86.77 7.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.44 -44.45 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.98 -13.66 41.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.86 -35.32 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -66.66 -49.02 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -54.94 41.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.0 m -55.64 -40.47 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -57.7 -52.96 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.33 -46.69 66.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.53 -57.68 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.49 63.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -73.69 -22.97 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.45 -38.22 17.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.0 mt -56.79 -37.63 71.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -78.16 -2.62 38.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -114.99 70.83 2.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 89.67 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.17 -54.16 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.73 -54.71 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.18 -31.21 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.78 119.2 32.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.43 114.48 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.2 mm -71.49 -49.07 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -175.96 177.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -127.84 125.07 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -114.8 161.3 18.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.93 52.59 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.72 141.29 0.44 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -51.86 -47.06 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.57 -56.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -58.77 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -57.04 -50.9 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.87 -46.31 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.67 -62.06 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.05 -22.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.15 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -22.34 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.1 mmt -80.33 -39.94 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.62 84.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -72.87 -12.76 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -92.55 -3.84 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.06 11.92 35.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 13.5 t -125.45 112.44 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.56 133.6 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.3 mt -128.73 161.06 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.72 144.53 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -122.14 143.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.03 109.28 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.97 134.54 35.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -119.58 95.06 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -85.71 140.64 30.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -152.25 166.62 31.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -160.84 100.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.815 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.76 126.3 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 t -99.99 118.7 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.562 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.74 140.74 51.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 tp -112.45 153.1 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.407 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -102.5 -28.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.87 87.45 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.49 -44.3 45.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.02 -33.69 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -88.12 -13.64 40.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -36.82 40.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.78 -46.41 78.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -54.44 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -57.26 -38.71 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -59.52 -52.99 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.22 -58.25 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.96 -43.92 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -55.93 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.98 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -23.28 59.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.58 -37.24 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.18 -38.97 71.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -78.43 -2.41 38.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -114.38 71.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.15 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.652 2.235 . . . . 0.0 112.386 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.94 -61.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.37 -55.11 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 pp -48.89 -32.3 8.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.91 123.18 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.53 122.79 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.1 mm -84.72 -44.68 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -175.8 -175.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -134.46 132.64 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -119.11 166.76 12.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.73 25.81 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -155.74 146.72 16.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -51.19 -49.98 59.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.32 -51.96 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.96 -62.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -56.32 -49.61 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.8 -59.09 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -50.02 -54.56 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.73 -23.01 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.03 -59.56 2.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.96 -23.69 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -77.9 -42.65 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.03 86.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 t -68.06 -12.5 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -94.92 -1.58 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.17 52.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 t -108.4 112.76 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.102 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.05 126.73 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.5 161.84 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.72 154.2 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -125.15 145.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.26 104.55 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.44 96.9 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -51.14 164.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -156.39 65.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -108.43 97.18 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.73 100.23 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.32 126.77 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 t -101.36 119.83 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.4 145.75 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.7 tp -118.94 151.93 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.96 -28.91 12.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -87.29 86.11 7.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.83 -43.99 49.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 m -54.88 -33.79 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.798 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -13.52 39.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.3 38.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.86 -50.13 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -54.97 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 m -55.82 -41.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -56.34 -50.74 70.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 -61.22 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -51.72 -45.79 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 tt -55.29 -51.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.52 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -79.14 -23.35 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -86.53 -41.04 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.62 -35.33 72.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -77.22 -2.62 35.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -116.92 67.9 4.26 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 88.05 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.46 -43.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.92 -57.94 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 pp -50.67 -27.72 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.32 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.04 121.13 38.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.95 119.32 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 26.8 mm -78.28 -45.42 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t -176.59 -178.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -133.95 129.8 36.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -120.25 173.39 7.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.827 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.09 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -151.57 140.9 14.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -43.56 2.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -51.35 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.83 -52.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -61.97 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -54.66 -53.46 54.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.79 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -61.49 -62.52 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 m -57.29 -24.72 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.01 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -23.21 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.1 mmt -77.2 -43.74 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.17 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -67.62 -12.67 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -95.69 -1.67 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 -3.65 51.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 t -109.03 112.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mm -81.57 133.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.98 161.73 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.411 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.37 147.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 34.5 mm -124.87 144.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.35 103.0 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.41 94.43 8.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -52.03 165.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -160.68 76.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -112.75 97.53 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.77 93.04 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 129.42 34.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 t -97.92 125.22 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.596 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.56 142.33 49.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 tp -114.22 154.12 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.77 -30.72 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -88.63 89.74 8.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.85 -44.01 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -54.82 -32.52 60.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.24 -13.84 37.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.47 -36.77 35.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.42 -46.1 77.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -54.06 49.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -57.11 -38.56 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -60.21 -53.73 54.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.01 -57.36 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -54.12 -47.96 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -54.83 25.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -72.04 -24.28 61.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -86.64 -34.65 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 29.0 mt -55.93 -38.1 69.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.17 -2.22 36.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -115.16 70.27 2.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.722 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.07 -53.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.66 -54.17 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pp -48.9 -43.15 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 120.02 34.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 121.76 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.6 mm -81.43 -50.76 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 t -175.56 -173.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -135.05 152.73 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -136.08 165.7 25.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.53 25.25 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -154.9 141.0 12.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -51.55 -45.79 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.06 -54.26 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.17 -55.93 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.99 -49.15 76.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.54 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -57.65 -58.54 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -61.1 -21.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.04 -59.62 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.2 p90 -63.74 -30.52 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.74 -38.29 62.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.02 84.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -70.96 -12.66 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -91.8 -1.34 57.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.71 -4.63 53.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.0 111.83 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.53 131.21 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -124.37 160.54 27.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.72 140.23 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -116.04 143.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.14 103.48 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.12 125.14 33.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -81.83 -173.1 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.21 105.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -131.19 -173.29 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 m -163.91 102.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 127.33 34.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 t -99.12 120.55 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.582 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.42 140.64 51.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.7 tp -111.14 154.84 23.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.16 -30.78 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -89.67 89.95 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -49.4 -43.67 44.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -33.81 63.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.51 -14.0 41.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.85 -36.14 47.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.25 -48.06 71.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -53.89 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.73 -38.64 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -59.12 -51.52 69.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -58.2 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -53.65 -54.46 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -50.25 38.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.44 80.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -67.51 -24.36 65.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -85.95 -45.42 11.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -57.75 -34.39 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -78.05 -2.04 35.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -113.11 73.48 1.7 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 78.08 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.301 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.35 -40.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.79 -67.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.81 102.77 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.5 121.24 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.91 118.4 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -77.44 -51.19 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.5 t -174.99 -175.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -134.27 152.95 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.42 172.51 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.27 26.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -154.99 141.55 13.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -48.69 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -53.61 -43.16 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.78 -54.38 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.41 -56.79 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -58.33 -47.84 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.97 -47.17 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -57.86 -58.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -61.78 -21.48 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.86 -59.65 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.99 -31.2 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -37.98 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.52 88.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -73.04 -12.85 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -90.11 -1.1 57.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.51 -4.37 54.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 t -108.18 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -81.24 132.44 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -125.28 161.09 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.9 141.83 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.2 mm -119.27 143.7 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.19 103.69 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.02 126.95 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -85.01 -172.01 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.53 108.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -130.93 -175.2 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 m -163.02 101.33 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.17 127.69 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 5.0 t -99.5 121.79 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.585 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 139.61 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -107.85 155.43 20.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.54 -30.37 10.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.29 92.28 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.48 -42.94 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -33.12 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.11 -14.05 39.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.97 45.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.45 -46.34 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -53.35 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.52 -38.3 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.59 -52.61 64.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.13 -57.5 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.27 -53.75 49.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -49.37 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -85.92 -45.38 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -57.47 -34.37 68.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.43 -1.46 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -112.94 73.74 1.63 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.626 0.726 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 78.49 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.15 -41.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -67.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.63 105.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE1' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.4 119.05 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.01 115.7 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.0 mm -72.68 -49.21 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 t -175.71 178.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -126.03 142.66 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -133.07 166.07 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.8 41.93 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -171.48 141.92 1.35 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -43.62 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -49.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.64 -57.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.81 -55.07 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -57.71 -51.4 69.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.31 -48.57 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -55.48 -58.64 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.53 -21.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.52 -60.41 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.5 p90 -63.68 -30.87 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.26 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -71.06 -12.64 61.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -91.92 -1.24 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.77 53.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 t -107.02 112.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.97 133.64 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.7 mt -126.23 161.72 27.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.63 145.82 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 mm -123.15 143.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.57 103.88 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.48 110.82 18.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -60.74 -178.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -173.77 128.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -166.37 -177.63 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m -159.44 102.48 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.35 125.55 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 t -99.81 117.91 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.65 142.93 51.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.8 tp -117.13 152.42 34.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.54 -29.2 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -87.75 86.2 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -49.74 -44.7 48.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.76 -32.82 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.39 -13.61 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.82 -35.17 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.33 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -54.55 45.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.8 m -55.95 -41.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -56.23 -49.48 74.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.3 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -53.83 -50.11 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 tt -49.25 -55.71 11.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.72 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -71.38 -24.08 62.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.48 -39.72 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.69 -32.61 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -77.98 -0.76 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -112.63 73.87 1.54 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.614 0.721 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.2 -70.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -47.43 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 pp -50.28 -42.46 52.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.777 0.323 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.2 119.42 33.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.02 113.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.53 -49.11 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -176.11 -173.61 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -133.92 148.87 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -138.86 168.07 20.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.19 38.69 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -165.86 138.53 3.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -40.28 5.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -48.23 80.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.98 -51.38 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.64 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.36 -53.3 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.68 -47.79 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -57.54 -61.61 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -57.8 -21.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -70.56 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.1 p90 -60.76 -31.12 70.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -38.42 61.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.7 93.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -76.72 -12.63 60.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -89.46 -0.44 57.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.63 -4.51 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 t -108.97 112.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.9 mm -81.09 129.64 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.77 161.28 24.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.429 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.1 145.76 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.8 mm -125.52 143.4 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 103.25 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.63 108.27 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -57.43 177.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -173.33 130.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -163.3 -178.25 5.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -161.16 99.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -86.64 126.55 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.6 t -99.83 118.66 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.59 141.22 51.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 38.3 tp -112.58 153.28 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.406 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -103.55 -27.74 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -89.83 88.6 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.79 -44.05 48.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -55.04 -33.67 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.06 -13.9 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.36 -38.1 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.55 -47.72 74.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -54.88 42.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -57.37 -38.78 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -58.24 -50.74 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.98 -58.45 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.36 -52.14 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -52.84 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.95 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -73.87 -23.41 59.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -85.71 -36.21 20.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.84 -38.13 72.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -78.54 -2.52 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -113.45 73.45 1.97 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 92.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.82 -61.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.2 -57.23 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp -48.66 -37.22 17.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -119.86 122.42 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.18 128.13 35.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.2 mm -88.39 -44.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -175.65 -177.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -134.47 128.41 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -120.21 173.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.12 31.37 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.69 144.0 12.91 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.65 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.86 -52.3 42.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.75 -55.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.55 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -55.06 -50.32 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.26 62.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.22 -62.22 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -56.62 -23.73 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -69.42 -59.47 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -63.66 -22.85 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -80.09 -38.63 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.83 -43.24 75.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -69.01 -12.75 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -94.31 -4.36 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.37 13.61 30.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.0 t -126.51 111.68 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.3 133.6 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.7 mt -127.76 162.12 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.405 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.76 147.45 49.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.4 mm -125.12 143.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.93 104.54 9.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.26 94.84 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -50.26 136.26 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -144.33 119.69 10.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.57 85.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.69 92.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -79.24 125.76 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.46 121.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.559 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 145.21 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.2 tp -117.82 153.13 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.72 -28.92 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -88.9 86.49 6.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.63 -43.75 46.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -34.72 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -88.07 -13.5 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.23 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -66.48 -51.08 60.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -54.88 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.53 -39.68 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -51.96 67.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.07 -45.46 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -54.66 -53.46 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.89 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -75.47 -24.67 56.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -87.28 -34.35 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -65.37 -33.42 75.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.34 -2.09 33.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -116.99 67.55 4.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.671 0.748 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 95.35 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.41 -44.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.2 -56.84 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pp -51.17 -24.97 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.76 121.54 39.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.65 123.76 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 mm -82.5 -45.63 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.5 t -175.9 -177.39 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -134.26 127.38 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -118.81 175.77 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.41 33.79 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -161.22 143.44 9.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.61 2.207 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -51.25 -49.47 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.8 t -66.94 -56.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.95 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -57.14 -50.9 71.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.72 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.5 -61.06 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -58.91 -23.01 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.23 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -23.35 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.34 -40.25 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -41.63 85.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -72.54 -12.76 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.45 -4.37 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.39 13.39 30.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -127.88 112.83 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -80.98 133.66 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.4 mt -128.04 161.7 28.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.411 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.45 146.83 50.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.8 mm -125.4 144.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.92 103.98 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.73 95.12 9.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -50.95 141.87 12.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -148.99 121.38 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -171.68 86.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -65.82 93.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -80.58 126.55 31.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -99.86 123.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.562 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.77 144.34 50.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 46.3 tp -116.17 152.66 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -101.08 -29.11 12.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -91.35 87.78 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.71 -42.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.41 -34.52 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -89.23 -13.55 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -35.38 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -52.83 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 23.6 m -59.2 -40.4 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -51.61 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -60.96 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.72 -45.03 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 tt -55.0 -57.81 10.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.76 -34.45 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -75.07 -25.78 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -87.2 -31.82 20.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.29 -34.51 78.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.04 -2.41 33.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -117.41 67.53 5.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 94.22 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.33 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.54 -49.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.56 -52.53 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -24.4 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.897 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.45 119.32 6.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.7 mm -78.43 -47.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 t -176.02 -177.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -134.14 132.99 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -121.99 166.14 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.19 22.47 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -145.0 142.79 18.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -49.17 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.13 -53.08 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.05 -52.7 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.2 -46.33 68.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.35 -60.21 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 m -58.41 -21.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -72.62 -59.99 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -23.96 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mmt -80.74 -41.17 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.05 94.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -71.94 -12.91 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -92.11 -1.73 57.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.09 -3.43 51.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 t -109.39 113.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mm -81.34 133.69 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.68 160.92 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.89 147.42 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.9 mm -125.31 144.26 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.98 103.48 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.87 104.86 13.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -53.98 175.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -163.72 95.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -128.57 -176.04 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.56 102.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -85.22 127.36 34.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.7 t -99.82 120.48 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.45 144.75 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 tp -117.64 152.8 34.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.65 -27.47 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -89.4 88.96 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -49.34 -43.72 43.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -33.95 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.03 -13.96 37.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' C ' HG21 ' A' ' 48' ' ' VAL . . . -52.84 -27.14 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.8 -52.71 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -58.25 -35.68 72.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 35.0 m -73.76 -42.38 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -57.97 -42.27 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.76 -58.76 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.34 -40.43 71.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.92 -51.03 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.32 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -81.83 -24.87 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -86.31 -39.19 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.31 -36.63 71.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.37 -2.32 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -115.37 69.91 2.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.96 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.76 -43.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.21 -59.05 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pp -50.78 -28.92 10.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 120.41 36.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 119.33 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.9 mm -78.56 -47.35 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.7 t -175.87 -177.96 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -134.41 127.25 31.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -115.9 163.66 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.27 25.79 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -148.08 140.63 14.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.26 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.08 -46.67 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -65.67 -53.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.42 -62.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.04 -47.99 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.35 -60.13 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -58.62 -22.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -72.28 -59.81 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -24.31 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 2.1 mmt -79.69 -42.15 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.09 96.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.09 -12.92 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.23 -1.68 56.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.17 -3.78 51.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 t -109.34 113.23 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 51.3 mm -81.22 133.55 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.33 160.81 31.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.406 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.09 147.28 50.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.5 mm -125.33 144.75 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.7 103.73 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -81.11 107.18 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -54.36 176.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -165.58 95.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -127.46 -177.24 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m -159.58 99.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -84.12 126.08 32.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 t -99.71 120.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -128.65 144.9 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 tp -117.82 152.67 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.14 -27.79 12.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -88.99 88.89 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -49.42 -43.75 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -34.55 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.4 -13.91 39.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.421 ' C ' HG21 ' B' ' 48' ' ' VAL . . . -52.91 -26.93 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.84 -52.82 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 35.7 m -73.74 -42.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -57.85 -41.65 82.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.41 -59.23 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -55.24 -38.99 69.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.45 -50.4 69.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.1 68.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -82.44 -26.84 32.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -85.51 -37.36 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.95 -37.22 73.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.94 -2.49 37.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -116.43 69.42 4.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 85.37 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.8 -48.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.62 -52.99 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 pp -49.35 -26.45 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.755 0.312 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.6 119.53 33.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.01 116.65 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.03 -49.37 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t -175.94 175.12 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -123.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -119.0 175.34 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.45 35.01 3.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.96 143.9 5.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -46.67 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -50.62 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.38 -56.99 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.39 -57.43 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -58.69 -51.34 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.67 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.046 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -57.35 -60.34 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 m -58.99 -21.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.48 -59.96 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.3 p90 -63.03 -29.78 71.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -38.78 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.08 85.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -71.13 -12.68 61.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -92.19 -1.1 57.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.83 -4.7 53.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 t -107.09 112.24 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.342 . . . . 0.0 111.129 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.67 133.52 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 mt -126.94 160.55 30.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 147.01 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.5 mm -125.03 143.3 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.61 103.18 8.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.59 119.72 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -76.14 176.74 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -169.8 116.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -143.99 178.37 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.5 m -161.56 97.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -83.33 124.65 30.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 t -99.7 118.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -125.69 144.97 50.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.9 tp -117.54 152.39 35.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.57 -27.71 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -88.44 85.25 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -50.19 -44.01 52.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.88 -33.43 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -89.23 -13.44 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.02 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.4 -50.27 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -56.31 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -55.19 -37.26 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -60.03 -52.35 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.75 -54.98 40.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.13 -47.74 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -52.22 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.48 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -69.06 -20.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -87.46 -41.59 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mt -58.02 -33.59 69.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -79.2 -0.96 34.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -113.47 72.54 1.82 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 101.36 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -177.63 -45.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -48.67 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.16 -17.51 53.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.46 120.57 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 116.89 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.9 mm -73.12 -50.44 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.6 t -174.87 174.52 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -124.78 134.43 52.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -122.26 174.24 7.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.39 35.07 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -163.88 142.46 6.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -45.62 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.93 -55.88 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.66 -56.02 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -59.45 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.86 -47.54 67.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -57.99 -59.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.6 m -60.03 -21.86 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.64 -59.59 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -61.23 -31.08 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.4 ' HG3' ' HB ' ' B' ' 25' ' ' VAL . 0.1 OUTLIER -76.73 -37.06 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.57 91.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -74.75 -12.76 60.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -90.12 -0.78 57.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 -4.68 54.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.4 ' HB ' ' HG3' ' B' ' 20' ' ' MET . 13.5 t -107.89 112.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.105 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -80.93 133.59 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.68 161.57 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.97 146.55 50.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mm -125.67 144.14 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.22 103.64 8.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -85.62 125.9 33.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -84.27 -178.84 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -171.37 118.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -147.87 179.77 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 68.8 m -159.89 103.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -87.03 125.66 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -99.54 118.66 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.554 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.53 141.91 51.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.54 152.99 29.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.69 -27.49 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -89.72 88.15 7.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.85 -44.66 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.19 -32.36 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -88.55 -14.25 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -39.13 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.84 -46.81 80.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -55.47 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.66 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -59.52 -51.74 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.0 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -55.04 -50.4 69.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -51.4 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.92 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.59 -21.15 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -87.07 -41.5 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.81 -33.76 70.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -78.39 -2.05 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -117.56 67.31 5.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.658 0.742 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 105.82 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -177.09 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.08 -40.29 5.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -11.0 49.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.48 119.14 32.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 116.93 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.8 mm -74.57 -51.83 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -176.22 -173.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -134.95 148.63 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -129.64 160.93 31.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.21 16.59 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -147.29 140.09 14.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -49.43 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -52.26 -47.72 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.75 -50.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.45 -54.86 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.06 -50.83 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.34 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.2 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.13 -22.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.89 -59.57 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -22.59 66.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -39.84 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.65 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.56 -12.83 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -94.38 -4.1 49.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.34 12.09 34.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 t -124.95 111.54 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -81.11 132.41 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.74 161.04 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.406 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mm -118.46 143.26 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.03 103.41 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.42 108.88 20.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -62.02 -174.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -171.9 108.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -147.16 106.79 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.87 102.08 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.05 128.93 35.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 t -99.39 121.17 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.84 143.29 50.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.1 tp -115.85 153.01 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.89 -28.04 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -88.76 87.33 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -49.5 -44.01 45.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.32 -34.41 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.31 -13.76 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.02 48.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.61 -48.43 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -53.66 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 m -57.93 -38.89 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.05 -52.24 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.45 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -54.59 -50.86 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.25 -55.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -65.75 -24.16 66.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -83.98 -31.46 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.76 -37.08 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -77.82 -1.2 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -113.87 70.65 1.81 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 77.93 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.62 2.213 . . . . 0.0 112.351 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -153.69 -62.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -65.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.97 106.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 119.77 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 120.35 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mm -78.62 -46.64 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -175.61 -177.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 65.5 p -134.41 128.24 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.26 161.33 19.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.24 29.33 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.32 140.04 13.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.727 2.284 . . . . 0.0 112.316 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -55.97 -45.01 79.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.51 -49.57 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -55.19 -49.2 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.91 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -61.7 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -57.09 -25.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.16 -58.95 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.54 -24.47 67.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -38.33 45.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -68.98 -13.03 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.74 -4.7 49.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.2 14.1 29.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.0 112.42 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.17 133.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.42 162.49 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.87 148.47 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.4 mm -125.28 144.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.29 103.78 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.65 107.07 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -58.44 -177.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -169.69 108.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -146.48 105.82 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m -95.56 104.7 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.84 126.92 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 t -99.68 121.43 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.58 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.99 138.56 52.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 57.9 tp -107.98 155.0 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -105.53 -28.9 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.12 89.76 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.71 -43.25 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.66 -33.39 60.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.84 -13.68 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.29 -36.6 32.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.25 -47.58 73.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -54.12 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 24.3 m -57.22 -39.4 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -58.36 -53.92 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.28 -57.95 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.26 -51.12 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.99 -54.85 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.54 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -64.12 -27.78 69.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.17 -35.36 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.57 -39.37 83.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -77.9 -1.25 30.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -114.47 69.55 2.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.645 0.736 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 76.59 1.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.65 -66.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -59.97 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -56.96 107.31 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -119.86 124.52 46.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.5 129.5 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.5 mm -91.94 -44.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.3 t -175.73 -179.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -134.5 123.24 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -115.22 171.79 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.27 49.15 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -172.06 143.91 1.4 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -51.22 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.86 -56.0 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.29 -59.84 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -57.49 -52.02 67.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.33 -48.96 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.01 -62.32 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -56.74 -22.56 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.36 -59.75 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -21.99 66.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.12 -42.68 31.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.77 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -95.44 -4.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 14.71 27.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -127.92 112.2 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.75 131.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -124.19 160.39 27.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.94 141.06 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -116.59 142.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.86 103.95 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.45 104.42 13.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -52.29 170.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -163.35 106.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -143.9 -176.18 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.0 99.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -83.42 126.78 33.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 t -100.7 120.41 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.25 144.55 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.3 tp -117.26 153.17 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.72 -29.84 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -87.49 87.09 7.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -49.3 -45.06 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.97 -33.59 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -88.05 -13.56 41.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -35.02 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.1 -50.03 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -54.59 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m -55.94 -40.5 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -57.73 -50.88 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.99 -60.56 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.93 -48.99 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tt -50.74 -58.28 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -36.52 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -69.88 -26.5 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -86.39 -27.18 24.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -39.31 83.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.14 -1.42 32.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -116.25 67.73 3.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 78.26 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.29 -72.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -53.57 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 pp -50.84 -30.63 14.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.96 122.17 40.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 121.47 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.9 mm -81.22 -46.31 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -176.05 -178.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -134.02 124.33 26.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -114.75 171.25 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.76 46.54 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -171.96 142.51 1.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -48.73 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.91 -48.45 64.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.36 -54.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.92 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.76 -52.37 65.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.44 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -57.6 -62.05 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -57.88 -22.65 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.39 -60.32 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.02 -24.54 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.4 -38.93 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.05 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -74.13 -12.56 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -91.08 -3.87 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 10.24 39.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 t -125.24 112.8 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.58 133.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.02 161.24 29.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.46 147.01 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.3 mm -124.53 144.02 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.15 103.93 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.62 103.47 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -51.31 169.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -164.06 101.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -137.51 -175.18 3.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m -159.22 101.44 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -86.39 128.53 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 t -101.76 123.17 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.592 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.7 141.27 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 55.3 tp -108.93 154.79 21.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.62 -31.86 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.2 90.15 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -49.79 -42.47 46.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.77 -33.12 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.92 -13.95 37.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.9 -35.33 23.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.66 -47.04 73.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.02 62.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.44 -38.48 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.27 -53.76 54.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -58.95 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.71 -45.89 67.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.76 -56.86 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.62 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -73.2 -24.84 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -86.21 -37.31 18.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.15 -38.07 72.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -77.51 -2.65 36.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -116.74 68.41 4.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 84.98 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.49 -56.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.1 -53.91 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pp -50.38 -25.02 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.792 0.33 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 tp -120.08 121.94 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.41 127.16 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.7 mm -86.31 -44.81 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 t -173.85 -177.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.28 125.2 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -114.82 173.35 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 44.02 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.46 143.49 0.86 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.75 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -50.51 -54.12 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.56 -54.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.77 -62.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -53.75 -43.73 69.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.86 -58.13 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -50.31 -50.35 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.9 t -66.68 -23.2 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.57 -59.95 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.1 p90 -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.413 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -71.77 -38.14 70.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.58 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -68.02 -12.68 61.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -92.41 -1.68 56.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 -4.36 53.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.413 ' HB ' ' HG3' ' A' ' 20' ' ' MET . 10.5 t -108.2 112.04 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.328 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.36 132.38 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.1 mt -126.14 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.12 151.1 49.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mm -125.97 144.05 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.84 103.74 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.88 100.18 12.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -54.2 174.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -172.51 121.22 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -163.24 130.03 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.16 93.87 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.61 125.78 30.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.36 122.08 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.87 142.93 50.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.4 tp -116.0 153.25 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.3 -31.61 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -87.48 86.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -49.97 -44.19 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.76 -32.19 59.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.06 -13.59 35.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.6 -35.86 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.41 -49.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.7 m -55.47 -39.62 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -58.28 -50.31 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.6 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -55.37 -46.65 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' B' ' 16' ' ' PHE . 10.2 tt -51.55 -54.74 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.57 76.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -70.62 -24.5 62.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -86.47 -42.9 13.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.95 -35.56 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.26 -2.01 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -113.94 72.34 2.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.676 0.75 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 85.84 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.77 -40.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.62 -58.94 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 100.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.06 123.18 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.73 124.15 18.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.4 mm -83.29 -47.45 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.9 t -171.19 -176.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.15 125.27 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -114.63 176.03 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.28 48.67 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -176.47 143.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -51.79 -49.05 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.86 -53.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.84 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -55.96 -43.67 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.6 -58.98 5.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.418 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 8.6 m-85 -50.2 -49.98 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.0 t -66.58 -23.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -69.15 -59.61 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.54 -33.31 74.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.3 tpt -71.48 -39.17 71.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.72 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -71.42 -12.66 61.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -90.79 -1.03 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.49 54.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 t -109.19 113.03 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.97 127.51 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -121.96 157.89 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.64 150.73 49.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mm -125.46 145.19 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.63 103.83 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.19 107.82 19.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -66.21 178.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -174.04 119.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -161.29 131.51 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.04 93.94 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.88 127.21 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.25 125.59 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.585 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -132.2 142.88 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 40.2 tp -114.56 152.42 31.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.23 -29.28 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.14 88.28 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -49.7 -42.83 46.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -32.86 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.36 -13.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.06 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -65.61 -47.43 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -54.85 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.9 m -56.47 -38.32 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -59.52 -51.01 71.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.96 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.15 -46.1 79.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.6 -54.37 28.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.6 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -68.14 -23.48 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -86.71 -44.85 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.9 mt -57.11 -34.6 68.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.89 -2.26 32.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -112.96 73.99 1.68 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.721 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 86.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -171.01 -38.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.63 -60.14 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.85 97.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.2 123.15 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.31 125.95 25.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' B' ' 37' ' ' VAL . 12.0 mm -91.38 -48.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -177.12 -176.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 p -135.02 149.03 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -128.04 163.07 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.16 144.75 9.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -48.2 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.62 -50.23 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.09 -53.54 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.54 -56.58 9.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -59.0 -51.13 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -47.38 64.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.34 -61.26 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -57.59 -21.9 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -70.49 -59.33 2.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -64.71 -22.67 67.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -41.33 26.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.06 82.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -69.48 -13.15 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -95.57 -4.29 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.1 16.62 22.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -128.36 111.41 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -81.66 133.55 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.1 mt -126.41 160.0 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 134.29 49.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -108.51 143.32 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.64 102.83 8.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 114.83 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -67.55 174.76 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -175.66 121.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -170.02 92.16 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -78.75 99.86 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.2 125.72 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -100.46 119.88 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.7 140.36 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.8 tp -109.96 152.53 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.68 -28.22 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -89.61 87.28 6.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.53 -44.07 46.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -54.88 -33.54 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -13.59 40.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.95 -36.48 38.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -65.3 -49.14 70.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -56.11 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.6 m -54.84 -39.35 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.61 -52.61 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -58.33 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.24 -47.66 71.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.1 tt -51.65 -57.8 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.35 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.23 -21.98 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -86.54 -39.86 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.0 mt -57.6 -36.41 71.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.76 -2.77 37.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -113.79 72.83 2.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 94.51 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.5 -53.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -61.87 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 pp -50.7 -33.12 21.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.762 0.315 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.47 121.67 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.13 121.59 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 26.7 mm -80.2 -47.35 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t -176.07 176.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -127.32 130.66 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -118.19 171.26 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.13 38.65 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.34 143.03 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -48.36 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.406 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.84 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.3 t -68.27 -55.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.4 -58.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -57.62 -49.82 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.82 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.68 -23.98 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.06 -59.88 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.08 -39.93 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.31 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -72.45 -12.61 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -93.26 -4.38 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.25 14.48 28.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.09 112.42 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.87 133.68 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 32.3 mt -127.27 161.0 29.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 138.44 53.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.5 mm -116.2 143.38 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 103.04 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.32 115.68 28.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -66.95 178.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -175.8 119.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -172.57 94.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m -81.58 91.47 6.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -80.55 122.12 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.511 HG23 ' HB ' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -99.02 131.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.614 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.04 149.78 52.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 34.8 tp -113.14 153.94 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.87 -31.49 11.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -88.29 90.65 8.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -48.99 -45.57 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.66 -31.68 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.41 -14.1 41.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.03 -37.42 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.83 -44.36 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -54.89 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.4 m -55.46 -40.24 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -59.45 -53.48 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.73 -60.0 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.37 -45.24 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.05 -57.71 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.42 -39.69 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.28 -37.55 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 83.7 mt -57.0 -37.11 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.76 -2.7 40.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -114.38 72.26 2.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.642 0.735 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 94.79 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.8 -59.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -57.37 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pp -48.52 -31.94 7.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HE1' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.1 tp -119.97 123.47 43.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.15 128.48 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.8 mm -88.82 -45.27 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -175.71 179.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -131.8 139.64 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -133.75 161.54 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.05 32.2 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -156.48 141.0 11.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.737 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -51.02 -46.05 61.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.04 -55.53 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.55 -59.98 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -56.19 -45.75 79.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.91 79.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.21 -60.63 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -58.98 -23.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.02 -59.74 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -25.22 68.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.2 mmt -76.86 -43.47 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.08 95.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -70.46 -12.78 61.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -96.49 -3.61 42.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.72 16.67 23.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.5 t -127.84 112.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -82.29 133.17 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 mt -130.26 162.34 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 146.78 50.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.6 mm -124.94 144.1 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.98 103.93 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.85 90.3 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -51.54 154.47 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.38 114.72 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -144.22 77.8 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 m -62.05 97.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -86.47 128.55 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 t -99.66 122.42 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.73 148.84 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.3 tp -122.29 152.24 40.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.87 -31.97 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -88.01 88.52 7.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -48.87 -41.12 32.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -53.35 -37.53 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.18 -14.14 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' C ' HG23 ' A' ' 48' ' ' VAL . . . -53.13 -26.25 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -78.39 -53.32 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -58.19 -35.39 71.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 34.6 m -74.05 -40.67 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.33 -43.01 92.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.87 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.08 -43.65 78.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -51.51 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.14 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -77.51 -26.2 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -82.62 -37.61 24.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -56.3 -40.27 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.41 -2.34 34.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -113.41 72.98 1.84 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 92.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -147.97 -48.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.38 -55.49 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 pp -50.96 -30.63 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.9 tp -119.77 123.58 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.18 128.46 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.7 mm -89.61 -45.02 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.5 t -175.75 -179.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -133.12 138.97 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -132.8 161.19 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.94 35.27 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -157.37 140.49 10.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.5 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -52.54 -46.28 66.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.83 -54.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -60.25 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -57.05 -44.85 83.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.1 78.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -58.84 -57.59 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -61.48 -23.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.71 -60.02 2.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -25.59 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 2.3 mmt -74.71 -44.94 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.78 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -69.81 -12.79 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.53 -3.73 42.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.64 16.96 22.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 59.8 t -128.33 112.07 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.8 mm -83.14 125.99 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.29 163.25 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.421 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.21 147.0 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -124.74 144.68 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.08 103.69 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -85.77 91.29 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -50.72 162.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.81 114.96 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -145.52 76.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -61.07 97.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.38 127.31 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 t -99.35 122.97 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.548 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.68 146.41 52.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.4 tp -119.5 152.7 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.402 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -100.07 -31.69 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -88.37 88.33 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -48.88 -41.36 33.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.0 m -53.36 -37.06 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.95 -13.68 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.431 ' C ' HG23 ' B' ' 48' ' ' VAL . . . -53.52 -26.21 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -78.3 -53.26 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -57.89 -35.38 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.467 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 35.4 m -74.33 -40.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.44 -55.68 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -56.29 -42.79 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -51.04 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.74 -32.83 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -78.02 -28.5 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.72 -35.86 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 mt -55.87 -41.22 74.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -77.79 -2.06 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -113.56 73.52 2.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.645 0.736 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 92.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.63 -51.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.37 -51.77 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 pp -49.8 -29.84 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.775 0.321 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.63 122.35 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 119.84 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.7 mm -79.03 -47.0 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.6 t -175.82 -179.34 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.35 126.62 31.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -114.88 159.13 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.99 18.9 19.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.39 142.6 17.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -51.02 -50.57 58.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.97 -51.8 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.43 -63.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -53.9 -43.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -55.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -52.11 -47.6 65.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -66.23 -27.9 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.14 -60.32 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -26.26 68.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 mmt -76.19 -38.84 56.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.51 78.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -69.34 -13.04 62.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -93.35 -4.35 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 13.8 30.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.22 112.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 111.101 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.29 133.14 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -128.0 162.47 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.05 150.77 50.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.9 mm -125.61 145.41 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.99 104.73 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.25 104.17 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -52.13 169.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -155.62 35.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -66.82 -171.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m -158.66 111.19 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -95.45 127.85 41.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 t -99.01 121.18 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.79 144.36 51.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.2 tp -117.87 152.86 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.2 -29.35 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -86.85 86.91 7.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -49.79 -44.71 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -54.82 -33.35 61.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -13.45 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.27 -34.24 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.82 -50.64 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -54.27 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.28 -41.47 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -51.36 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.53 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -52.29 -48.8 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 tt -51.56 -52.51 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.89 72.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -25.53 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -86.48 -43.15 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.03 -34.65 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.23 -2.26 33.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -112.91 74.35 1.72 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 82.9 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.262 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.12 -40.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.08 -67.4 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -52.12 113.46 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.11 122.59 41.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 120.71 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.0 mm -79.16 -47.09 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t -175.99 -179.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.18 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -114.89 163.38 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.14 29.08 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.11 140.98 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -53.65 -48.24 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.63 -50.37 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.77 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -54.27 -46.56 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -53.31 55.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.79 -51.5 55.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.51 -29.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.34 -59.51 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -60.76 -27.8 68.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.42 ' HG2' ' CE2' ' B' ' 19' ' ' TYR . 0.5 OUTLIER -75.23 -38.84 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.02 82.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -69.12 -13.0 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -94.06 -4.11 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.02 13.16 32.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 t -128.42 112.56 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -82.81 133.19 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 29.8 mt -126.73 163.76 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 149.95 50.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.2 mm -125.58 144.99 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.07 104.75 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.54 104.6 12.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -51.25 168.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -155.4 38.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.31 -173.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.9 m -157.39 105.0 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -91.19 128.18 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.6 t -98.3 121.81 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.577 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.12 144.27 51.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 32.7 tp -117.79 153.63 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.07 -27.84 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -89.25 88.88 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -49.24 -43.67 42.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.3 m -54.22 -34.9 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.95 -13.52 41.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.421 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -53.92 -27.92 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.34 -51.05 10.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.72 -35.91 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.49 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 35.3 m -73.45 -41.0 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -43.16 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.39 -56.57 9.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -57.46 -41.37 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.14 -53.12 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.85 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -75.25 -25.93 58.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -86.31 -41.28 14.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.13 -36.81 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.55 -2.48 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -112.9 74.19 1.69 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 84.6 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.37 -41.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.56 -59.65 1.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.0 102.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.3 123.13 42.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 126.35 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.4 mm -87.32 -46.07 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -175.7 -177.3 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 p -135.27 132.3 37.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -122.0 171.39 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.16 44.63 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -175.29 142.09 0.68 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -45.9 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -50.74 -53.2 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.96 -53.67 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -62.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -51.91 -47.87 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -59.1 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.01 -54.03 22.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.31 -23.3 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -69.3 -59.74 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.89 -24.08 67.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.92 -41.42 43.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.41 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 t -67.48 -12.83 61.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -94.95 -2.44 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 1.12 51.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 t -112.75 112.09 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.34 125.34 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.74 162.81 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 150.34 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mm -126.19 145.32 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.79 105.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.51 103.45 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -50.83 157.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -152.68 121.85 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -157.99 -178.1 7.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -159.98 92.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -80.53 128.83 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 t -99.22 123.09 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.583 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.6 145.96 52.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.0 tp -118.66 153.0 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -100.05 -31.53 11.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -89.27 88.7 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -48.7 -39.11 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.5 -36.78 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -85.05 -14.71 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.86 -40.19 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -62.72 -52.14 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -59.79 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.81 -37.32 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -61.37 -54.35 44.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -55.11 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.72 -48.55 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.09 -50.42 61.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.66 90.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -71.47 -20.05 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -88.18 -37.54 16.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -57.34 -35.49 69.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.69 -1.21 29.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -112.14 76.27 1.8 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 79.7 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.745 2.297 . . . . 0.0 112.328 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.24 -66.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -49.46 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 pp -48.85 -33.05 9.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.905 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.82 124.75 46.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.57 129.19 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.6 mm -90.51 -44.03 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.4 t -176.12 -178.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 19.4 p -132.77 133.52 43.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -128.12 167.24 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.9 51.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.51 141.38 0.75 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.68 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -50.94 -48.59 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.37 -54.32 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.78 -62.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -53.94 -51.73 62.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.04 -49.84 49.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -56.93 -50.99 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -29.93 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.99 -59.98 2.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mmt -72.32 -44.06 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.35 80.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -63.07 -16.26 59.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -90.19 -2.91 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.1 54.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 t -110.93 114.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.7 124.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -118.66 161.93 19.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.412 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -129.71 150.53 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.8 mm -125.35 144.18 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.17 104.94 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.23 100.47 11.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -51.46 163.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -154.17 132.02 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -167.83 -177.62 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -160.51 92.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -81.26 126.83 32.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.4 t -99.33 124.2 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.82 146.17 52.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 36.9 tp -117.57 153.45 33.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.5 -28.74 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -90.61 88.95 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.78 -40.02 27.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.57 -36.62 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -85.41 -14.41 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.08 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.57 -47.99 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -53.82 -37.22 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -61.39 -55.57 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -55.69 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -55.4 -48.16 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -49.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -67.09 -22.82 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -87.66 -34.65 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -57.54 -35.87 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -79.18 -0.41 31.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -111.66 75.59 1.43 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 78.23 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.09 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -47.77 14.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.28 -48.79 45.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 tp -119.75 122.94 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.57 125.3 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.8 mm -84.88 -47.45 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 t -173.91 179.34 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -130.96 127.95 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -118.03 174.51 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.85 47.96 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -175.94 140.68 0.57 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -40.55 5.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -56.26 -49.76 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 t -65.76 -53.11 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.21 -62.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -55.19 -48.92 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.5 -58.21 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -50.8 -50.77 55.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -64.72 -21.86 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.94 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -61.99 -31.67 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.8 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.408 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -72.9 -40.71 65.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -72.28 -12.63 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -91.88 -0.78 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.0 -4.29 52.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.408 ' HB ' ' HG3' ' A' ' 20' ' ' MET . 10.5 t -110.59 112.24 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.14 132.66 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.9 mt -125.28 163.44 22.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.49 150.96 51.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mm -125.55 144.18 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.33 103.77 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.95 116.44 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -68.45 -178.33 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -173.07 132.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -163.55 -179.63 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 m -163.55 100.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.04 128.06 35.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 t -99.56 120.32 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.93 142.68 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.8 tp -115.0 152.93 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.01 -29.42 12.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -88.6 87.02 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -49.34 -43.63 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -34.61 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -87.43 -13.85 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.42 -36.5 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.86 -49.35 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -53.31 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -58.95 -38.49 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.02 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.68 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.08 -47.98 74.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -53.59 48.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.59 71.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -72.17 -24.09 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -85.23 -34.97 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.87 -38.53 72.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.49 -2.44 38.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -113.68 73.14 2.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 85.87 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.79 -61.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -53.85 4.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp -49.64 -38.47 32.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -119.59 119.88 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 119.37 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -76.56 -47.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.3 t -174.33 176.0 2.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -127.19 126.72 43.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.06 171.19 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.82 47.68 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -174.12 142.16 0.85 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -45.53 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -52.48 -50.1 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.53 -57.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.56 -58.02 4.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.68 -45.05 90.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.8 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.65 -58.16 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.85 -21.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.76 -59.85 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.1 p90 -62.78 -31.77 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -37.74 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.39 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -73.75 -12.8 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -90.35 -1.08 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.68 -4.36 53.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.35 112.38 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.31 133.4 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 40.3 mt -126.7 162.74 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.15 148.02 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -125.59 144.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.16 103.9 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -84.43 117.84 23.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -69.25 -177.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -172.87 134.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -166.92 179.21 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m -161.0 101.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.09 129.33 35.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 t -99.03 122.57 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.591 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.44 143.83 51.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.7 tp -115.89 153.5 31.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.43 -30.87 11.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -90.45 89.25 7.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.21 -42.5 40.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -33.65 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -88.27 -13.95 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -38.73 37.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.08 -45.58 80.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -53.88 52.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 26.9 m -57.82 -38.29 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -52.39 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.05 14.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.92 -44.71 78.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -50.8 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.38 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -70.44 -20.41 62.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -87.68 -36.79 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.46 -35.37 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.88 -1.26 30.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -112.02 75.47 1.56 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.25 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.39 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.26 -64.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.95 -47.72 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.63 -53.69 22.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 122.44 41.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.37 122.29 12.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.5 mm -83.11 -45.79 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 t -175.73 -179.28 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -134.02 135.02 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -127.81 170.35 12.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.02 40.86 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -165.83 140.69 3.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.34 3.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -54.66 -50.7 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.86 -55.64 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.64 -62.63 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -54.63 -43.22 72.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -57.38 12.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -51.32 -47.55 62.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 100.0 t -67.12 -26.91 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -68.15 -61.02 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -26.78 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.49 -41.94 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -42.67 87.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -71.18 -12.58 61.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -92.78 -4.12 53.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.21 12.24 34.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -127.71 113.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.2 mm -80.69 129.03 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -123.69 161.19 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.51 150.96 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -125.82 145.83 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.59 104.31 8.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -85.45 95.95 9.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -51.58 168.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -167.16 112.78 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -156.53 113.63 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.73 103.01 15.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.29 126.12 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 t -99.64 120.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.569 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.98 145.81 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.6 tp -118.81 152.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.27 -27.62 12.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -88.89 88.23 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.24 -43.7 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -53.55 -35.13 60.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -88.21 -14.14 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' C ' HG23 ' A' ' 48' ' ' VAL . . . -53.16 -26.22 16.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -78.73 -54.61 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.4 -35.94 68.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 35.4 m -74.54 -40.94 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.2 -41.99 85.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.65 -57.02 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.47 -44.17 76.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -50.94 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.8 66.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -80.05 -26.76 39.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -82.38 -39.0 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -56.27 -40.36 74.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -77.09 -2.98 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -113.87 73.06 2.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 94.93 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.28 -58.73 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -53.55 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 pp -49.7 -31.31 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.03 121.56 39.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 120.75 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.07 -46.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.8 t -176.09 176.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -128.23 130.96 48.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -124.33 166.6 15.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.99 36.29 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.47 141.58 8.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -47.85 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -48.77 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.92 -55.61 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.31 -60.05 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -56.91 -44.12 82.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.8 83.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.33 -59.8 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 m -60.04 -24.3 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -68.88 -60.63 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mmt -76.88 -40.85 46.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.49 85.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -72.7 -12.55 61.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -93.25 -4.27 52.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 13.95 29.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 t -128.11 112.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.2 133.59 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.0 mt -128.56 162.86 26.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.14 146.57 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 38.1 mm -125.13 144.09 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.7 103.67 8.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.13 93.9 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -50.81 167.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -168.71 117.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.25 110.98 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.37 100.1 12.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.96 127.73 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 t -98.77 123.0 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.582 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.76 146.48 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 36.0 tp -118.7 153.49 34.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.9 -27.92 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -89.89 89.58 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -49.72 -44.32 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -53.9 -32.44 53.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -89.78 -14.61 34.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.416 ' C ' HG23 ' B' ' 48' ' ' VAL . . . -51.17 -28.84 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -77.72 -51.29 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.02 -35.61 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 34.0 m -74.9 -39.17 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -59.21 -45.81 90.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.48 -54.15 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.5 -46.62 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.4 -49.85 76.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -34.2 68.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -74.41 -31.73 62.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -80.04 -32.98 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.38 -43.27 74.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.73 -2.16 34.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -113.27 73.55 1.84 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.7 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -141.66 -66.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -50.69 6.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 pp -48.62 -32.91 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 tp -119.92 123.95 44.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 130.37 46.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -92.59 -45.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -175.12 -174.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -134.59 127.26 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -115.14 162.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.5 39.32 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -166.6 141.19 3.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 -51.79 -51.05 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.55 -51.22 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.09 -62.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -53.5 -47.32 69.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -58.73 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.26 -52.54 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.18 -24.32 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.08 -59.4 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -63.96 -25.55 68.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -41.4 53.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.63 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.4 t -67.85 -12.77 61.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -94.25 -3.66 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.05 7.01 47.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 t -121.08 113.16 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -80.75 128.64 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.44 162.35 19.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.37 150.8 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.9 mm -125.08 142.91 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.81 103.29 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.43 106.64 18.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -61.33 170.73 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -160.66 101.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -140.53 110.23 6.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 m -94.72 99.41 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.56 126.28 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.34 119.24 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.55 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.6 143.73 51.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.5 tp -116.63 151.88 35.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.96 -29.51 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -87.56 86.41 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -49.63 -44.7 47.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -34.34 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.98 -13.8 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.41 -35.56 39.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -66.22 -48.79 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -54.44 47.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.4 m -56.51 -39.33 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -58.74 -52.14 66.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -57.4 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.56 -48.3 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HG ' ' CE1' ' B' ' 16' ' ' PHE . 10.4 tt -50.65 -52.39 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.55 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -68.23 -25.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -86.98 -42.05 13.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.86 -33.52 73.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -77.0 -1.98 31.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -112.32 75.07 1.61 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.96 -37.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.18 -71.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.21 102.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.74 119.57 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.14 117.85 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 26.9 mm -75.26 -48.55 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.3 t -176.2 -175.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -134.7 141.52 46.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -131.29 161.57 32.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.45 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.96 139.33 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -53.03 -46.34 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.43 -52.82 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.39 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -56.66 -44.35 81.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.78 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.413 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 3.1 m-85 -58.57 -58.28 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.8 m -59.58 -25.73 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.84 -59.9 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.3 OUTLIER -63.72 -25.06 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -40.31 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.63 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.7 t -70.18 -12.78 61.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -93.27 -4.18 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.14 11.99 35.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -126.48 112.74 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.3 mm -80.52 133.39 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.04 161.45 27.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.415 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.01 146.1 50.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.7 mm -125.21 143.3 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.01 103.12 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.43 102.99 14.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -55.6 174.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -162.73 107.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -149.7 120.26 7.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.5 m -108.01 96.58 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.46 130.39 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.85 127.32 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.593 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.98 141.38 47.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 49.4 tp -109.57 153.95 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.7 -32.23 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -90.93 89.71 7.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.16 -40.29 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -33.94 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -89.28 -14.35 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.9 -38.29 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -67.7 -46.33 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -52.79 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.41 -39.07 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.33 -51.96 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.33 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.94 -48.81 75.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -50.52 -51.11 50.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.46 88.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -67.31 -25.5 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -87.38 -43.83 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.96 -33.49 68.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -77.75 -1.76 32.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -112.63 74.26 1.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 87.33 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.303 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.18 -37.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.32 -68.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.17 102.31 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.66 118.68 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.81 118.11 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.2 mm -75.48 -50.02 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -176.37 173.53 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p -122.13 143.79 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -133.68 152.22 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.93 28.49 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -152.23 138.91 12.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -49.13 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.61 -62.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -53.33 -43.22 67.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.26 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.09 -62.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.65 -26.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -71.15 -60.16 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -31.51 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.424 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -75.6 -38.74 58.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.81 95.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -77.8 -12.41 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -90.09 0.36 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 -4.81 54.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HG3' ' A' ' 20' ' ' MET . 13.9 t -108.86 112.79 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.56 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.7 mt -127.29 161.74 27.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.415 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.3 OUTLIER -127.12 144.49 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -117.91 142.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.34 103.19 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -89.17 107.59 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -52.71 171.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -164.44 120.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -162.98 179.31 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -161.14 102.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.33 126.8 35.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.28 119.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.551 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.83 143.0 51.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.6 tp -115.74 150.62 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.45 -30.49 11.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.069 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -87.05 89.38 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.52 -43.86 35.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -33.74 66.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -84.78 -14.89 46.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.92 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.01 -50.47 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.1 m -54.84 -37.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -59.57 -53.02 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 -56.64 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.91 -48.88 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -50.53 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.18 93.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -68.45 -19.86 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -88.84 -42.69 11.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -57.11 -33.22 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.08 -1.18 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -115.33 68.94 2.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 78.42 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.75 -55.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.55 -45.91 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 pp -50.53 -26.64 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 119.69 33.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.79 119.04 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 30.8 mm -75.79 -48.65 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.0 t -175.81 174.65 2.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 p -124.26 132.85 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -125.55 161.98 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.7 35.6 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -159.77 139.5 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -46.45 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.37 -49.1 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.95 -53.3 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.48 -56.92 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.64 -51.07 71.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.84 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.2 -61.12 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 25.7 m -58.13 -21.51 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -71.08 -59.91 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.511 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -60.84 -30.8 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -37.18 55.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.78 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -76.92 -12.6 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -90.08 -0.6 57.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.57 -4.17 53.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.6 112.35 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.3 133.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.3 mt -126.68 161.4 28.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' THR . . . . . 0.412 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.69 146.69 50.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.6 mm -125.36 143.55 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 103.29 8.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -85.06 111.9 20.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -57.02 177.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -171.22 126.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -163.95 -179.01 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -161.11 103.18 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.4 127.69 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.9 t -100.6 119.0 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.593 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.95 139.02 53.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 44.0 tp -108.2 153.28 23.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.42 -29.45 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -90.53 92.17 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -48.63 -43.62 36.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -33.65 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -84.06 -14.98 49.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.35 -38.68 63.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -64.87 -46.74 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -56.72 18.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 24.2 m -55.41 -40.53 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -57.22 -57.09 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -61.25 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -50.2 -47.19 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.0 -50.8 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.22 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.53 -17.97 55.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -87.5 -37.12 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.71 -36.39 71.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -77.87 -0.76 28.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -111.75 75.65 1.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 77.55 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.248 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.2 -59.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.51 -47.81 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.37 -54.68 16.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.779 0.323 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 tp -119.91 121.79 39.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.61 126.99 29.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.3 mm -86.03 -48.37 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 t -176.45 -174.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -135.56 149.12 49.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.21 170.02 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.11 17.46 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -146.32 141.03 15.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.37 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -46.73 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.31 -55.65 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.86 -61.13 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.88 -49.5 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.45 -45.79 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.54 -62.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.2 -23.02 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.51 -59.62 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.72 67.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 mmt -76.19 -45.63 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.34 -12.67 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -96.75 -3.49 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.77 16.91 22.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.1 t -127.86 112.14 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -82.65 133.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 mt -131.89 161.83 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.98 147.21 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.7 mm -124.93 144.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.61 103.91 8.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.95 99.42 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -50.52 157.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -147.15 39.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -83.94 127.06 33.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.71 100.93 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -82.21 128.32 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 t -99.3 123.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.581 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.57 145.99 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 tp -116.69 154.97 29.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.8 -30.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 91.48 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -49.0 -41.36 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -53.71 -36.98 62.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.45 -14.19 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' C ' HG21 ' A' ' 48' ' ' VAL . . . -52.89 -27.25 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.75 -52.63 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -59.01 -35.47 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 31.8 m -73.9 -40.66 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.59 -43.24 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.45 -57.36 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -56.08 -39.66 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -62.35 -51.76 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.93 -30.84 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -78.39 -29.19 47.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -82.38 -39.53 22.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mt -56.03 -40.03 72.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -77.66 -2.27 35.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -114.09 72.24 2.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.7 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.671 2.248 . . . . 0.0 112.318 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.26 -53.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.96 -53.29 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 pp -51.14 -29.02 12.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.786 0.326 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tt -119.95 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 122.98 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 mm -83.82 -46.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t -175.4 -177.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -134.6 128.12 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -117.79 170.49 8.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.8 34.43 4.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.82 141.22 8.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -47.75 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.0 64.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -68.35 -55.21 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.8 -58.84 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.26 -47.67 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.45 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.76 -60.03 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.31 -23.81 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.46 -59.63 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -26.6 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.1 mmt -74.44 -45.3 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.01 98.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -69.07 -12.57 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -98.04 -3.68 37.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.69 17.26 21.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 64.0 t -127.52 112.07 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -84.73 127.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -123.62 163.03 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 148.38 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.2 mm -124.76 145.94 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.67 103.46 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.85 100.69 11.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -51.28 159.19 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -149.0 42.69 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -86.76 125.97 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.24 102.7 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -85.68 125.45 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 t -99.36 123.38 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.569 ' N ' ' CD1' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.79 144.86 51.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -115.9 154.23 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.405 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -102.62 -30.85 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.28 90.32 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -49.49 -39.93 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -53.52 -36.43 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.6 -14.35 40.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.436 ' C ' HG21 ' B' ' 48' ' ' VAL . . . -52.01 -26.62 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.57 -53.7 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.1 OUTLIER -57.91 -35.45 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' B' ' 47' ' ' ARG . 34.0 m -73.84 -41.35 53.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -43.0 89.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.49 -56.88 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.79 -38.65 72.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tt -62.81 -52.44 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.24 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -78.8 -28.44 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -82.33 -37.27 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -56.3 -40.34 74.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.77 -2.31 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -114.18 72.1 2.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.34 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -149.76 -56.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.69 -53.13 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 pp -49.46 -30.21 7.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.426 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.54 119.35 32.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.86 116.59 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.8 mm -73.97 -48.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 52' ' ' LEU . 11.2 t -174.03 -179.91 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -131.16 130.47 43.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.628 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.1 m-85 -120.03 168.18 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.79 35.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -163.57 143.44 6.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -50.89 -52.0 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.23 -56.49 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.77 -59.19 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.12 -52.96 62.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.78 61.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CD2' HD12 ' B' ' 52' ' ' LEU . 2.9 m-85 -57.86 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.631 HG11 HG12 ' A' ' 29' ' ' ILE . 35.0 m -57.34 -22.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.74 -59.28 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.46 -22.63 67.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.502 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -80.55 -38.37 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -42.25 74.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -70.29 -12.5 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -94.92 -4.27 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 14.63 27.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 ' HD2' ' B' ' 47' ' ' ARG . 18.0 t -126.4 111.38 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.25 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HB3' HG12 ' A' ' 17' ' ' VAL . 32.7 mt -128.28 162.3 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 146.32 50.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.74 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.0 mm -123.94 142.77 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.08 103.5 8.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.894 0.378 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.89 126.22 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.707 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.2 t -99.48 118.66 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.88 143.57 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.4 tp -116.35 152.32 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -102.06 -28.25 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' HD21 ' A' ' 39' ' ' LEU . 41.9 t0 -87.81 87.9 7.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -48.68 -45.08 38.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -34.67 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.6 mp0 -87.24 -13.53 43.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -55.38 -24.61 30.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -78.82 -58.37 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.78 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -54.82 -35.82 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 32.8 m -73.29 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.3 mtp180 -58.13 -42.66 86.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -56.94 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.06 -44.1 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.614 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -60.54 -51.55 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -33.04 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.43 -26.75 46.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.829 0.347 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.43 120.86 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 116.39 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 48' ' ' VAL . 27.9 mm -73.02 -48.88 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.516 HG21 HD11 ' A' ' 52' ' ' LEU . 14.6 t -175.73 166.14 3.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -115.75 132.26 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.431 ' CZ ' HG21 ' B' ' 5' ' ' THR . 21.3 m-85 -123.9 166.66 15.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.29 41.83 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -167.82 141.34 2.78 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.74 1.11 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -47.65 65.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.55 -56.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -58.39 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -57.66 -49.56 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.21 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.614 ' CD1' HD12 ' A' ' 52' ' ' LEU . 2.9 m-85 -59.4 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.706 HG11 HG12 ' B' ' 29' ' ' ILE . 28.1 m -58.57 -22.34 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.7 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -24.2 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.453 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.9 mmt -77.63 -43.52 31.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.88 95.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.31 -12.7 61.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -95.23 -4.0 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.38 23.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.78 HG21 ' HD2' ' A' ' 47' ' ' ARG . 44.1 t -128.21 112.46 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.188 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.5 mm -81.68 133.22 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.547 ' CB ' HG12 ' B' ' 17' ' ' VAL . 37.7 mt -130.46 162.42 29.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.409 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 145.89 50.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.707 ' CD1' HG22 ' A' ' 37' ' ' VAL . 44.3 mm -124.92 143.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.61 103.63 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.53 127.41 34.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.74 HG22 ' CD1' ' A' ' 29' ' ' ILE . 9.9 t -99.7 119.51 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.94 141.26 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 4' ' ' ILE . 43.9 tp -112.68 153.32 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.437 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.26 -28.23 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.411 ' O ' HD21 ' B' ' 39' ' ' LEU . 40.5 t0 -90.63 88.97 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.54 -43.6 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -33.59 61.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -13.82 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.48 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -68.24 -48.15 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.729 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.56 -51.84 68.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.705 ' CG1' HG11 ' A' ' 25' ' ' VAL . 23.6 m -60.18 -39.76 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -59.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.79 -45.71 63.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -55.38 -56.56 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -76.25 -23.95 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -85.77 -37.17 19.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.628 HD21 ' HE1' ' A' ' 7' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.82 118.92 31.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.9 115.72 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 27' ' ' LEU . 25.8 mm -73.21 -47.23 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.711 HG21 HD11 ' B' ' 52' ' ' LEU . 9.8 t -175.46 -177.86 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -133.99 126.27 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.652 ' HE1' HD21 ' B' ' 56' ' ' LEU . 20.7 m-85 -117.06 166.27 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.09 50.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.62 143.01 0.68 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.331 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -51.13 -48.42 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.62 -55.32 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.9 -60.19 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.6 59.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CD2' HD12 ' B' ' 52' ' ' LEU . 2.7 m-85 -57.89 -62.36 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.698 HG11 HG12 ' A' ' 29' ' ' ILE . 35.2 m -56.87 -22.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.05 -59.28 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.51 -22.47 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.442 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -79.83 -41.03 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.8 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.03 -12.81 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -95.12 -3.22 48.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.97 6.83 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.644 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.7 t -118.67 111.73 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.614 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.4 mm -81.0 132.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 26' ' ' ILE . 4.4 mm? -126.56 162.06 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 145.83 50.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' B' ' 37' ' ' VAL . 38.2 mm -123.48 143.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.06 103.01 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.874 0.369 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.21 123.6 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.745 HG22 ' CD1' ' B' ' 29' ' ' ILE . 11.5 t -99.84 117.25 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.57 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.14 142.68 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 41' ' ' ASP . 28.7 tp -114.66 153.49 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -102.61 -28.67 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.466 ' O ' HD21 ' A' ' 39' ' ' LEU . 13.3 t0 -88.3 86.77 7.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.44 -44.45 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.98 -13.66 41.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.86 -35.32 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -66.66 -49.02 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.27 -54.94 41.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.0 m -55.64 -40.47 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -57.7 -52.96 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.33 -46.69 66.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.788 HD11 HG21 ' B' ' 5' ' ' THR . 8.4 tt -52.53 -57.68 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.49 63.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -73.69 -22.97 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.41 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.78 119.2 32.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.43 114.48 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.427 ' CD1' HG21 ' A' ' 48' ' ' VAL . 22.2 mm -71.49 -49.07 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.788 HG21 HD11 ' A' ' 52' ' ' LEU . 12.8 t -175.96 177.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -127.84 125.07 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -114.8 161.3 18.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.93 52.59 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.72 141.29 0.44 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -51.86 -47.06 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.57 -56.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -58.77 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -57.04 -50.9 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.87 -46.31 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.67 -62.06 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.697 HG11 HG12 ' B' ' 29' ' ' ILE . 35.9 m -58.05 -22.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.15 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -64.0 -22.34 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.487 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -80.33 -39.94 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.62 84.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -72.87 -12.76 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -92.55 -3.84 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.06 11.92 35.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.723 HG11 ' CG1' ' A' ' 48' ' ' VAL . 13.5 t -125.45 112.44 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.088 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.56 133.6 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.484 ' HB3' HG12 ' B' ' 17' ' ' VAL . 29.3 mt -128.73 161.06 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.72 144.53 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.745 ' CD1' HG22 ' A' ' 37' ' ' VAL . 41.8 mm -122.14 143.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.03 109.28 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.903 0.382 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.76 126.3 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 29' ' ' ILE . 14.4 t -99.99 118.7 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.562 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.74 140.74 51.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 4' ' ' ILE . 37.9 tp -112.45 153.1 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.44 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -102.5 -28.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.87 87.45 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.49 -44.3 45.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.02 -33.69 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -88.12 -13.64 40.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -36.82 40.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.78 -46.41 78.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.609 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.57 -54.44 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.644 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.8 m -57.26 -38.71 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -59.52 -52.99 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.22 -58.25 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.96 -43.92 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.711 HD11 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -55.1 -55.93 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.98 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -23.28 59.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.58 -37.24 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.652 HD21 ' HE1' ' A' ' 7' ' ' PHE . 13.2 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.91 123.18 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.53 122.79 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.1 mm -84.72 -44.68 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.688 HG21 HD11 ' B' ' 52' ' ' LEU . 9.2 t -175.8 -175.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -134.46 132.64 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.3 m-85 -119.11 166.76 12.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.73 25.81 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -155.74 146.72 16.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -51.19 -49.98 59.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.32 -51.96 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' B' ' 35' ' ' SER . . . -49.96 -62.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -56.32 -49.61 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.8 -59.09 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CD2' HD12 ' B' ' 52' ' ' LEU . 5.6 m-85 -50.02 -54.56 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.601 HG21 HG12 ' A' ' 29' ' ' ILE . 93.8 t -60.73 -23.01 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.03 -59.56 2.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.96 -23.69 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.525 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -77.9 -42.65 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.03 86.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 t -68.06 -12.5 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -94.92 -1.58 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.17 52.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.676 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.3 t -108.4 112.76 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.102 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.7 mm -81.05 126.73 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 20' ' ' MET . 4.5 mm? -120.5 161.84 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.72 154.2 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.626 ' CD1' HG22 ' B' ' 37' ' ' VAL . 41.8 mm -125.15 145.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.26 104.55 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.32 126.77 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.75 HG22 ' CD1' ' B' ' 29' ' ' ILE . 13.0 t -101.36 119.83 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.4 145.75 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 41' ' ' ASP . 26.7 tp -118.94 151.93 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.96 -28.91 12.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.468 ' O ' HD21 ' A' ' 39' ' ' LEU . 60.5 t0 -87.29 86.11 7.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.83 -43.99 49.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 m -54.88 -33.79 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.798 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -13.52 39.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.3 38.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.86 -50.13 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.2 -54.97 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.686 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.5 m -55.82 -41.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.8 mtt180 -56.34 -50.74 70.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 -61.22 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -51.72 -45.79 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.693 HD11 HG21 ' B' ' 5' ' ' THR . 9.9 tt -55.29 -51.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.52 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -79.14 -23.35 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.32 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.04 121.13 38.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' MET . . . . . 0.413 ' HE1' ' HB3' ' B' ' 6' ' ' SER . 0.1 OUTLIER -57.95 119.32 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.528 HG13 HD11 ' B' ' 27' ' ' LEU . 26.8 mm -78.28 -45.42 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.693 HG21 HD11 ' A' ' 52' ' ' LEU . 11.1 t -176.59 -178.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 3' ' ' MET . 1.1 p -133.95 129.8 36.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.422 ' CZ ' HG21 ' B' ' 5' ' ' THR . 26.4 m-85 -120.25 173.39 7.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.827 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.09 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -151.57 140.9 14.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -43.56 2.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -51.35 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.474 HG12 ' HD2' ' B' ' 16' ' ' PHE . 38.1 t -65.83 -52.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -61.97 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -54.66 -53.46 54.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.79 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.474 ' HD2' HG12 ' B' ' 12' ' ' VAL . 1.4 m-85 -61.49 -62.52 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.732 HG12 ' HB3' ' B' ' 27' ' ' LEU . 17.1 m -57.29 -24.72 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.01 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -23.21 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.5 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -77.2 -43.74 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.17 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -67.62 -12.67 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -95.69 -1.67 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 -3.65 51.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.686 HG11 ' CG1' ' A' ' 48' ' ' VAL . 5.0 t -109.03 112.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' HD22 ' B' ' 27' ' ' LEU . 50.4 mm -81.57 133.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.732 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -126.98 161.73 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.414 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.37 147.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.75 ' CD1' HG22 ' A' ' 37' ' ' VAL . 34.5 mm -124.87 144.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.35 103.0 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.49 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 129.42 34.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.626 HG22 ' CD1' ' A' ' 29' ' ' ILE . 8.2 t -97.92 125.22 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.56 142.33 49.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.605 ' HB3' HD11 ' A' ' 4' ' ' ILE . 45.6 tp -114.22 154.12 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.77 -30.72 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -88.63 89.74 8.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.85 -44.01 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -54.82 -32.52 60.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.24 -13.84 37.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.47 -36.77 35.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.42 -46.1 77.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.655 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.03 -54.06 49.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.676 ' CG1' HG11 ' A' ' 25' ' ' VAL . 28.0 m -57.11 -38.56 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -60.21 -53.73 54.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.416 ' HB1' HH11 ' B' ' 54' ' ' ARG . . . -59.01 -57.36 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -54.12 -47.96 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -51.94 -54.83 25.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.416 HH11 ' HB1' ' B' ' 50' ' ' ALA . 1.1 mtt180 -72.04 -24.28 61.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -86.64 -34.65 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.529 HD21 ' HE1' ' A' ' 7' ' ' PHE . 29.0 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 120.02 34.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 121.76 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.603 HG13 HD11 ' A' ' 27' ' ' LEU . 23.6 mm -81.43 -50.76 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.657 HG21 HD11 ' B' ' 52' ' ' LEU . 6.7 t -175.56 -173.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -135.05 152.73 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -136.08 165.7 25.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.53 25.25 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -154.9 141.0 12.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -51.55 -45.79 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.06 -54.26 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.17 -55.93 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -56.99 -49.15 76.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.54 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.716 ' CD2' HD12 ' B' ' 52' ' ' LEU . 4.3 m-85 -57.65 -58.54 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.729 HG11 HG12 ' A' ' 29' ' ' ILE . 32.5 m -61.1 -21.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.04 -59.62 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 1.2 p90 -63.74 -30.52 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.41 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -74.74 -38.29 62.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.02 84.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -70.96 -12.66 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -91.8 -1.34 57.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.71 -4.63 53.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.658 HG11 ' CG1' ' B' ' 48' ' ' VAL . 6.6 t -107.0 111.83 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.563 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.0 mm -81.53 131.21 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.756 HD12 HG12 ' B' ' 37' ' ' VAL . 3.1 mm? -124.37 160.54 27.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.72 140.23 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.735 ' CD1' HG22 ' B' ' 37' ' ' VAL . 30.4 mm -116.04 143.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.14 103.48 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 127.33 34.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.735 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.8 t -99.12 120.55 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.582 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.42 140.64 51.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' B' ' 4' ' ' ILE . 47.7 tp -111.14 154.84 23.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.16 -30.78 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' HD21 ' A' ' 39' ' ' LEU . 18.4 t0 -89.67 89.95 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -49.4 -43.67 44.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -33.81 63.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.51 -14.0 41.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.85 -36.14 47.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.25 -48.06 71.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.483 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -59.03 -53.89 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.694 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.0 m -57.73 -38.64 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -59.12 -51.52 69.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -58.2 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -53.65 -54.46 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' CD2' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -49.15 -50.25 38.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.44 80.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -67.51 -24.36 65.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.5 121.24 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.91 118.4 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.655 HG13 HD11 ' B' ' 27' ' ' LEU . 28.4 mm -77.44 -51.19 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.629 HG21 HD11 ' A' ' 52' ' ' LEU . 6.5 t -174.99 -175.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -134.27 152.95 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.42 172.51 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.27 26.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -154.99 141.55 13.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -48.69 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -53.61 -43.16 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.78 -54.38 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.41 -56.79 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -58.33 -47.84 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.97 -47.17 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.729 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.5 m-85 -57.86 -58.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.731 HG11 HG12 ' B' ' 29' ' ' ILE . 31.0 m -61.78 -21.48 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.86 -59.65 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.99 -31.2 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -37.98 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.52 88.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -73.04 -12.85 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -90.11 -1.1 57.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.51 -4.37 54.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.694 HG11 ' CG1' ' A' ' 48' ' ' VAL . 9.9 t -108.18 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' HD22 ' B' ' 27' ' ' LEU . 48.9 mm -81.24 132.44 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.675 HD12 HG12 ' A' ' 37' ' ' VAL . 2.8 mm? -125.28 161.09 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -126.9 141.83 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.735 ' CD1' HG22 ' A' ' 37' ' ' VAL . 29.2 mm -119.27 143.7 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.19 103.69 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.17 127.69 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.756 HG12 HD12 ' A' ' 27' ' ' LEU . 5.0 t -99.5 121.79 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 139.61 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -107.85 155.43 20.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.54 -30.37 10.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.29 92.28 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.48 -42.94 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -33.12 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.11 -14.05 39.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.97 45.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.45 -46.34 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.45 -53.35 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.658 ' CG1' HG11 ' A' ' 25' ' ' VAL . 29.4 m -58.52 -38.3 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.59 -52.61 64.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.13 -57.5 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.27 -53.75 49.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.716 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -49.14 -49.37 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -85.92 -45.38 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.4 119.05 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.01 115.7 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' B' ' 39' ' ' LEU . 25.0 mm -72.68 -49.21 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.69 HG21 HD11 ' B' ' 52' ' ' LEU . 11.7 t -175.71 178.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -126.03 142.66 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.663 ' HE1' HD21 ' B' ' 56' ' ' LEU . 19.2 m-85 -133.07 166.07 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.8 41.93 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -171.48 141.92 1.35 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -43.62 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -49.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.64 -57.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -47.81 -55.07 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -57.71 -51.4 69.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.31 -48.57 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.669 ' CD1' HD12 ' B' ' 52' ' ' LEU . 4.5 m-85 -55.48 -58.64 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.611 HG11 HG12 ' A' ' 29' ' ' ILE . 30.5 m -62.53 -21.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.52 -60.41 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 1.5 p90 -63.68 -30.87 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.523 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.26 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -71.06 -12.64 61.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -91.92 -1.24 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.77 53.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.679 HG11 ' CG1' ' B' ' 48' ' ' VAL . 12.2 t -107.02 112.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.97 133.64 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' A' ' 17' ' ' VAL . 20.7 mt -126.23 161.72 27.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.63 145.82 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.744 ' CD1' HG22 ' B' ' 37' ' ' VAL . 42.3 mm -123.15 143.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.57 103.88 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.35 125.55 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.74 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.2 t -99.81 117.91 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.65 142.93 51.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD13 HD22 ' B' ' 27' ' ' LEU . 25.8 tp -117.13 152.42 34.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.54 -29.2 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.468 ' O ' HD21 ' A' ' 39' ' ' LEU . 11.5 t0 -87.75 86.2 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -49.74 -44.7 48.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.76 -32.82 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.39 -13.61 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.82 -35.17 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.33 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -54.55 45.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 23.8 m -55.95 -41.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.9 mtt180 -56.23 -49.48 74.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.3 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -53.83 -50.11 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.617 HD11 HG21 ' B' ' 5' ' ' THR . 8.3 tt -49.25 -55.71 11.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.72 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -71.38 -24.08 62.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.777 0.323 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.2 119.42 33.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.02 113.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.639 HG13 HD11 ' B' ' 27' ' ' LEU . 29.4 mm -69.53 -49.11 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.617 HG21 HD11 ' A' ' 52' ' ' LEU . 6.4 t -176.11 -173.61 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -133.92 148.87 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.534 ' CE2' HG21 ' A' ' 37' ' ' VAL . 33.1 m-85 -138.86 168.07 20.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.19 38.69 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -165.86 138.53 3.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -40.28 5.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -48.23 80.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.98 -51.38 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.64 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.36 -53.3 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.68 -47.79 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 2.5 m-30 -57.54 -61.61 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.771 HG11 HG12 ' B' ' 29' ' ' ILE . 31.0 m -57.8 -21.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -70.56 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.485 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 1.1 p90 -60.76 -31.12 70.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -38.42 61.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.7 93.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -76.72 -12.63 60.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -89.46 -0.44 57.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.63 -4.51 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.723 HG11 ' CG1' ' A' ' 48' ' ' VAL . 14.3 t -108.97 112.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.48 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.9 mm -81.09 129.64 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.639 HD11 HG13 ' B' ' 4' ' ' ILE . 0.9 OUTLIER -122.77 161.28 24.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.1 145.76 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.771 HG12 HG11 ' B' ' 17' ' ' VAL . 36.8 mm -125.52 143.4 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 103.25 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.903 0.382 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -86.64 126.55 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.744 HG22 ' CD1' ' A' ' 29' ' ' ILE . 11.6 t -99.83 118.66 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.59 141.22 51.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.482 ' HB3' HD11 ' A' ' 4' ' ' ILE . 38.3 tp -112.58 153.28 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.441 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.55 -27.74 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.426 ' O ' HD21 ' B' ' 39' ' ' LEU . 11.4 t0 -89.83 88.6 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.79 -44.05 48.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -55.04 -33.67 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.06 -13.9 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.36 -38.1 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.55 -47.72 74.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.559 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.82 -54.88 42.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.679 ' CG1' HG11 ' A' ' 25' ' ' VAL . 31.6 m -57.37 -38.78 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -58.24 -50.74 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.98 -58.45 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.36 -52.14 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.69 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -50.84 -52.84 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.95 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -73.87 -23.41 59.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -85.71 -36.21 20.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.663 HD21 ' HE1' ' A' ' 7' ' ' PHE . 10.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -119.86 122.42 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.18 128.13 35.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' B' ' 39' ' ' LEU . 33.2 mm -88.39 -44.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.823 HG21 HD11 ' B' ' 52' ' ' LEU . 8.0 t -175.65 -177.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -134.47 128.41 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.8 m-85 -120.21 173.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.12 31.37 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.69 144.0 12.91 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.65 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.86 -52.3 42.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.75 -55.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.55 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -55.06 -50.32 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.26 62.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.22 -62.22 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.666 HG11 HG12 ' A' ' 29' ' ' ILE . 33.0 m -56.62 -23.73 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -69.42 -59.47 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -63.66 -22.85 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.503 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -80.09 -38.63 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.83 -43.24 75.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -69.01 -12.75 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -94.31 -4.36 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.37 13.61 30.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.672 HG11 ' CG1' ' B' ' 48' ' ' VAL . 9.0 t -126.51 111.68 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.3 133.6 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' HB3' HG12 ' A' ' 17' ' ' VAL . 26.7 mt -127.76 162.12 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.408 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.76 147.45 49.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' B' ' 37' ' ' VAL . 38.4 mm -125.12 143.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.93 104.54 9.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -79.24 125.76 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.728 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.6 t -100.46 121.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.559 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 145.21 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.2 tp -117.82 153.13 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -101.72 -28.92 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' O ' HD21 ' A' ' 39' ' ' LEU . 8.4 t0 -88.9 86.49 6.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.63 -43.75 46.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -34.72 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -88.07 -13.5 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.23 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -66.48 -51.08 60.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -54.88 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.73 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.3 m -56.53 -39.68 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -51.96 67.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.07 -45.46 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.764 HD11 HG21 ' B' ' 5' ' ' THR . 10.5 tt -54.66 -53.46 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.89 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -75.47 -24.67 56.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.407 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.76 121.54 39.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.65 123.76 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 39' ' ' LEU . 31.2 mm -82.5 -45.63 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 52' ' ' LEU . 9.5 t -175.9 -177.39 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -134.26 127.38 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -118.81 175.77 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.41 33.79 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -161.22 143.44 9.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.61 2.207 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -51.25 -49.47 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.8 t -66.94 -56.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.95 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -57.14 -50.9 71.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.72 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.5 -61.06 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.704 HG11 HG12 ' B' ' 29' ' ' ILE . 29.5 m -58.91 -23.01 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.23 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -63.9 -23.35 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.48 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -78.34 -40.25 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -41.63 85.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -72.54 -12.76 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.45 -4.37 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.39 13.39 30.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.73 HG11 ' CG1' ' A' ' 48' ' ' VAL . 7.6 t -127.88 112.83 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -80.98 133.66 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' B' ' 17' ' ' VAL . 29.4 mt -128.04 161.7 28.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.415 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.45 146.83 50.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.728 ' CD1' HG22 ' A' ' 37' ' ' VAL . 39.8 mm -125.4 144.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.92 103.98 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -80.58 126.55 31.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 29' ' ' ILE . 9.9 t -99.86 123.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.562 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.77 144.34 50.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' ' 4' ' ' ILE . 46.3 tp -116.17 152.66 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.477 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -101.08 -29.11 12.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -91.35 87.78 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.71 -42.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.41 -34.52 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -89.23 -13.55 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -35.38 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.643 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.06 -52.83 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.672 ' CG1' HG11 ' A' ' 25' ' ' VAL . 23.6 m -59.2 -40.4 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -51.61 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -60.96 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.72 -45.03 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 5' ' ' THR . 9.9 tt -55.0 -57.81 10.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.76 -34.45 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -75.07 -25.78 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -87.2 -31.82 20.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.596 HD21 ' HE1' ' A' ' 7' ' ' PHE . 12.3 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.45 119.32 6.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.532 HG13 HD11 ' A' ' 27' ' ' LEU . 27.7 mm -78.43 -47.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.732 HG21 HD11 ' B' ' 52' ' ' LEU . 9.6 t -176.02 -177.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -134.14 132.99 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' B' ' 56' ' ' LEU . 24.6 m-85 -121.99 166.14 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.19 22.47 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -145.0 142.79 18.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -49.17 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.13 -53.08 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.05 -52.7 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.2 -46.33 68.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.35 -60.21 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.719 HG11 HG12 ' A' ' 29' ' ' ILE . 29.5 m -58.41 -21.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -72.62 -59.99 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -23.96 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.558 ' SD ' HG12 ' B' ' 48' ' ' VAL . 2.2 mmt -80.74 -41.17 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.05 94.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -71.94 -12.91 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -92.11 -1.73 57.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.09 -3.43 51.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.744 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.9 t -109.39 113.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.635 ' O ' HD22 ' A' ' 27' ' ' LEU . 50.4 mm -81.34 133.69 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.663 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.6 mm? -128.68 160.92 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.89 147.42 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.723 ' CD1' HG22 ' B' ' 37' ' ' VAL . 36.9 mm -125.31 144.26 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.98 103.48 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.88 0.372 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -85.22 127.36 34.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.744 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.7 t -99.82 120.48 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.45 144.75 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.8 tp -117.64 152.8 34.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -103.65 -27.47 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.5 t0 -89.4 88.96 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -49.34 -43.72 43.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -33.95 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 48' ' ' VAL . 2.6 mp0 -89.03 -13.96 37.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -27.14 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.8 -52.71 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.25 -35.68 72.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.742 ' CG1' HG11 ' B' ' 25' ' ' VAL . 35.0 m -73.76 -42.38 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 48' ' ' VAL . 2.4 mtt180 -57.97 -42.27 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.76 -58.76 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.34 -40.43 71.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.738 HD11 HG21 ' B' ' 5' ' ' THR . 10.3 tt -61.92 -51.03 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.32 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -81.83 -24.87 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.877 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 120.41 36.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 119.33 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.514 HD12 HG21 ' A' ' 48' ' ' VAL . 28.9 mm -78.56 -47.35 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.738 HG21 HD11 ' A' ' 52' ' ' LEU . 9.7 t -175.87 -177.96 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -134.41 127.25 31.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -115.9 163.66 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.27 25.79 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -148.08 140.63 14.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.26 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.08 -46.67 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -65.67 -53.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.42 -62.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.04 -47.99 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.35 -60.13 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.733 HG11 HG12 ' B' ' 29' ' ' ILE . 31.3 m -58.62 -22.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -72.28 -59.81 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -24.31 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.554 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.1 mmt -79.69 -42.15 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.09 96.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.09 -12.92 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.23 -1.68 56.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.17 -3.78 51.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.742 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.7 t -109.34 113.23 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.621 ' O ' HD22 ' B' ' 27' ' ' LEU . 51.3 mm -81.22 133.55 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.682 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.6 mm? -128.33 160.81 31.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.412 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.09 147.28 50.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.744 ' CD1' HG22 ' A' ' 37' ' ' VAL . 40.5 mm -125.33 144.75 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.7 103.73 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -84.12 126.08 32.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.723 HG22 ' CD1' ' A' ' 29' ' ' ILE . 12.3 t -99.71 120.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -128.65 144.9 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.487 HD21 ' O ' ' B' ' 41' ' ' ASP . 30.6 tp -117.82 152.67 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.403 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.14 -27.79 12.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.487 ' O ' HD21 ' B' ' 39' ' ' LEU . 17.2 t0 -88.99 88.89 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -49.42 -43.75 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -34.55 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.453 ' O ' HG22 ' B' ' 48' ' ' VAL . 2.6 mp0 -88.4 -13.91 39.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.93 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.84 -52.82 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.454 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.744 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.7 m -73.74 -42.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.459 ' N ' HG23 ' B' ' 48' ' ' VAL . 2.8 mtt180 -57.85 -41.65 82.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.41 -59.23 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -55.24 -38.99 69.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -63.45 -50.4 69.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.1 68.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -82.44 -26.84 32.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -85.51 -37.36 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.755 0.312 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.6 119.53 33.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.01 116.65 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' B' ' 39' ' ' LEU . 26.2 mm -73.03 -49.37 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.772 HG21 HD11 ' B' ' 52' ' ' LEU . 14.5 t -175.94 175.12 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -123.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.613 ' HE1' HD21 ' B' ' 56' ' ' LEU . 15.6 m-85 -119.0 175.34 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.45 35.01 3.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.96 143.9 5.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -46.67 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -50.62 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.38 -56.99 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.39 -57.43 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -58.69 -51.34 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.67 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.046 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.66 ' CD2' HD12 ' B' ' 52' ' ' LEU . 4.2 m-85 -57.35 -60.34 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.683 HG11 HG12 ' A' ' 29' ' ' ILE . 28.2 m -58.99 -21.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.48 -59.96 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.3 p90 -63.03 -29.78 71.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.516 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.8 OUTLIER -74.86 -38.78 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.08 85.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -71.13 -12.68 61.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -92.19 -1.1 57.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.83 -4.7 53.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' CG1' ' B' ' 48' ' ' VAL . 11.5 t -107.09 112.24 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.342 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.67 133.52 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 mt -126.94 160.55 30.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 147.01 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' B' ' 37' ' ' VAL . 39.5 mm -125.03 143.3 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.61 103.18 8.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -83.33 124.65 30.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' CD1' ' B' ' 29' ' ' ILE . 2.9 t -99.7 118.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -125.69 144.97 50.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 41' ' ' ASP . 25.9 tp -117.54 152.39 35.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -102.57 -27.71 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.472 ' O ' HD21 ' A' ' 39' ' ' LEU . 15.4 t0 -88.44 85.25 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -50.19 -44.01 52.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.88 -33.43 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -89.23 -13.44 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.02 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.4 -50.27 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -56.31 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.731 ' CG1' HG11 ' B' ' 25' ' ' VAL . 29.7 m -55.19 -37.26 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -60.03 -52.35 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.75 -54.98 40.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.13 -47.74 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.735 HD11 HG21 ' B' ' 5' ' ' THR . 0.6 OUTLIER -52.2 -52.22 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.48 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -69.06 -20.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.418 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.46 120.57 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 116.89 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 39' ' ' LEU . 22.9 mm -73.12 -50.44 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.735 HG21 HD11 ' A' ' 52' ' ' LEU . 13.6 t -174.87 174.52 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -124.78 134.43 52.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -122.26 174.24 7.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.39 35.07 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -163.88 142.46 6.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -45.62 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.93 -55.88 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.66 -56.02 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -59.45 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.86 -47.54 67.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.5 m-85 -57.99 -59.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.733 HG11 HG12 ' B' ' 29' ' ' ILE . 28.6 m -60.03 -21.86 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.64 -59.59 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -61.23 -31.08 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.73 -37.06 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.57 91.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -74.75 -12.76 60.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -90.12 -0.78 57.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 -4.68 54.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.731 HG11 ' CG1' ' A' ' 48' ' ' VAL . 13.5 t -107.89 112.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.105 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -80.93 133.59 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.68 161.57 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.97 146.55 50.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.733 HG12 HG11 ' B' ' 17' ' ' VAL . 37.0 mm -125.67 144.14 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.22 103.64 8.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -87.03 125.66 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.5 t -99.54 118.66 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.53 141.91 51.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.5 tp -113.54 152.99 29.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.436 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.69 -27.49 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.442 ' O ' HD21 ' B' ' 39' ' ' LEU . 16.2 t0 -89.72 88.15 7.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.85 -44.66 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.19 -32.36 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.477 ' HG2' HG22 ' A' ' 25' ' ' VAL . 2.0 tp60 -88.55 -14.25 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -39.13 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.84 -46.81 80.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.568 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.81 -55.47 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.682 ' CG1' HG11 ' A' ' 25' ' ' VAL . 31.1 m -56.66 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -59.52 -51.74 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.0 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -55.04 -50.4 69.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 5' ' ' THR . 0.4 OUTLIER -51.04 -51.4 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.92 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.59 -21.15 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -87.07 -41.5 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.613 HD21 ' HE1' ' A' ' 7' ' ' PHE . 9.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.48 119.14 32.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 116.93 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.514 HG13 HD11 ' A' ' 27' ' ' LEU . 24.8 mm -74.57 -51.83 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.632 HG21 HD11 ' B' ' 52' ' ' LEU . 7.1 t -176.22 -173.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -134.95 148.63 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -129.64 160.93 31.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.21 16.59 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -147.29 140.09 14.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -49.43 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -52.26 -47.72 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.75 -50.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -51.45 -54.86 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.06 -50.83 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.34 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' HZ ' HD22 ' B' ' 56' ' ' LEU . 3.2 m-85 -58.2 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.702 HG11 HG12 ' A' ' 29' ' ' ILE . 27.3 m -57.13 -22.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.89 -59.57 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -22.59 66.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.441 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -78.29 -39.84 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.65 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.56 -12.83 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -94.38 -4.1 49.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.34 12.09 34.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.648 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.0 t -124.95 111.54 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.1 mm -81.11 132.41 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.5 mm? -126.74 161.04 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.41 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.713 ' CD1' HG22 ' B' ' 37' ' ' VAL . 30.7 mm -118.46 143.26 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.03 103.41 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.05 128.93 35.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.731 HG22 ' CD1' ' B' ' 29' ' ' ILE . 14.2 t -99.39 121.17 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.84 143.29 50.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 41' ' ' ASP . 31.1 tp -115.85 153.01 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -102.89 -28.04 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.455 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.0 t0 -88.76 87.33 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -49.5 -44.01 45.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.32 -34.41 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.31 -13.76 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.02 48.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.61 -48.43 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.84 -53.66 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG1' HG11 ' B' ' 25' ' ' VAL . 28.7 m -57.93 -38.89 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.05 -52.24 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.45 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -54.59 -50.86 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.578 HD11 HG21 ' B' ' 5' ' ' THR . 0.7 OUTLIER -50.25 -55.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -65.75 -24.16 66.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.404 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 119.77 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 120.35 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.58 HG13 HD11 ' B' ' 27' ' ' LEU . 22.5 mm -78.62 -46.64 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.578 HG21 HD11 ' A' ' 52' ' ' LEU . 10.0 t -175.61 -177.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 65.5 p -134.41 128.24 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.26 161.33 19.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.24 29.33 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -151.32 140.04 13.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.727 2.284 . . . . 0.0 112.316 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -55.97 -45.01 79.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.51 -49.57 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -55.19 -49.2 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.91 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -61.7 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.666 HG11 HG12 ' B' ' 29' ' ' ILE . 28.1 m -57.09 -25.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.16 -58.95 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.54 -24.47 67.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.424 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.91 -38.33 45.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -68.98 -13.03 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.74 -4.7 49.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.2 14.1 29.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.685 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.1 t -128.0 112.42 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.62 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.2 mm -81.17 133.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.661 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -127.42 162.49 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 148.47 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.731 ' CD1' HG22 ' A' ' 37' ' ' VAL . 40.4 mm -125.28 144.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.29 103.78 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.84 126.92 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' A' ' 29' ' ' ILE . 3.1 t -99.68 121.43 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.99 138.56 52.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.401 HD12 ' H ' ' B' ' 40' ' ' ALA . 57.9 tp -107.98 155.0 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.401 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -105.53 -28.9 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.12 89.76 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.71 -43.25 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.66 -33.39 60.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.84 -13.68 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.29 -36.6 32.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.25 -47.58 73.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.639 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.39 -54.12 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.648 ' CG1' HG11 ' A' ' 25' ' ' VAL . 24.3 m -57.22 -39.4 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -58.36 -53.92 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.28 -57.95 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.26 -51.12 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.632 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -49.99 -54.85 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.54 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -64.12 -27.78 69.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.17 -35.36 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.597 HD22 ' HZ ' ' A' ' 16' ' ' PHE . 2.8 mm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -119.86 124.52 46.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.5 129.5 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.563 HD11 ' HB3' ' B' ' 39' ' ' LEU . 33.5 mm -91.94 -44.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.833 HG21 HD11 ' B' ' 52' ' ' LEU . 10.3 t -175.73 -179.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -134.5 123.24 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.622 ' HE1' HD21 ' B' ' 56' ' ' LEU . 22.3 m-85 -115.22 171.79 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.27 49.15 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -172.06 143.91 1.4 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -51.22 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.86 -56.0 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -48.29 -59.84 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -57.49 -52.02 67.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.33 -48.96 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.01 -62.32 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.708 HG11 HG12 ' A' ' 29' ' ' ILE . 32.6 m -56.74 -22.56 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.36 -59.75 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HA ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -65.01 -21.99 66.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.453 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -78.12 -42.68 31.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.77 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 19' ' ' TYR . 14.7 t -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -95.44 -4.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 14.71 27.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.688 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.2 t -127.92 112.2 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.581 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.0 mm -80.75 131.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 26' ' ' ILE . 3.8 mm? -124.19 160.39 27.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.94 141.06 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.708 HG12 HG11 ' A' ' 17' ' ' VAL . 36.6 mm -116.59 142.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.86 103.95 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -83.42 126.78 33.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' B' ' 29' ' ' ILE . 7.4 t -100.7 120.41 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.25 144.55 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.3 tp -117.26 153.17 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.72 -29.84 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' HD21 ' A' ' 39' ' ' LEU . 3.6 t70 -87.49 87.09 7.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -49.3 -45.06 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.97 -33.59 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -88.05 -13.56 41.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -35.02 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.1 -50.03 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -54.59 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.733 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.5 m -55.94 -40.5 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.407 ' N ' HG23 ' A' ' 48' ' ' VAL . 2.5 mtp180 -57.73 -50.88 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.99 -60.56 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.93 -48.99 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.78 HD11 HG21 ' B' ' 5' ' ' THR . 10.1 tt -50.74 -58.28 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -36.52 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -69.88 -26.5 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.96 122.17 40.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 121.47 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.9 mm -81.22 -46.31 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.78 HG21 HD11 ' A' ' 52' ' ' LEU . 10.0 t -176.05 -178.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -134.02 124.33 26.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -114.75 171.25 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.76 46.54 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -171.96 142.51 1.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -48.73 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.91 -48.45 64.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.435 HG12 ' HD2' ' B' ' 16' ' ' PHE . 45.0 t -66.36 -54.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.92 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.76 -52.37 65.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.44 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.435 ' HD2' HG12 ' B' ' 12' ' ' VAL . 2.4 m-85 -57.6 -62.05 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.72 HG11 HG12 ' B' ' 29' ' ' ILE . 32.7 m -57.88 -22.65 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.39 -60.32 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.02 -24.54 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.525 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -79.4 -38.93 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.05 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -74.13 -12.56 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -91.08 -3.87 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 10.24 39.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.733 HG11 ' CG1' ' A' ' 48' ' ' VAL . 11.1 t -125.24 112.8 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.58 133.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 17' ' ' VAL . 28.8 mt -128.02 161.24 29.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.46 147.01 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' A' ' 37' ' ' VAL . 38.3 mm -124.53 144.02 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.15 103.93 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -86.39 128.53 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 29' ' ' ILE . 10.5 t -101.76 123.17 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.7 141.27 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 4' ' ' ILE . 55.3 tp -108.93 154.79 21.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.431 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -101.62 -31.86 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.2 90.15 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -49.79 -42.47 46.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.77 -33.12 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.92 -13.95 37.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.9 -35.33 23.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.66 -47.04 73.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.6 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.89 -53.02 62.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.688 ' CG1' HG11 ' A' ' 25' ' ' VAL . 30.4 m -58.44 -38.48 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.27 -53.76 54.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -58.95 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.71 -45.89 67.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 5' ' ' THR . 3.7 tt -53.76 -56.86 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.62 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -73.2 -24.84 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -86.21 -37.31 18.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.622 HD21 ' HE1' ' A' ' 7' ' ' PHE . 11.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.792 0.33 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 tp -120.08 121.94 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.41 127.16 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' B' ' 39' ' ' LEU . 30.7 mm -86.31 -44.81 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.814 HG21 HD11 ' B' ' 52' ' ' LEU . 6.4 t -173.85 -177.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.28 125.2 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.615 ' CE1' HD21 ' B' ' 56' ' ' LEU . 21.2 m-85 -114.82 173.35 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 44.02 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.46 143.49 0.86 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.75 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -50.51 -54.12 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.56 -54.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' B' ' 35' ' ' SER . . . -47.77 -62.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -53.75 -43.73 69.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.86 -58.13 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' B' ' 52' ' ' LEU . 9.5 m-85 -50.31 -50.35 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 27' ' ' LEU . 73.9 t -66.68 -23.2 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.57 -59.95 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 1.1 p90 -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.527 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -71.77 -38.14 70.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.58 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -68.02 -12.68 61.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -92.41 -1.68 56.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 -4.36 53.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' CG1' ' B' ' 48' ' ' VAL . 10.5 t -108.2 112.04 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.328 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.36 132.38 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB2' HG13 ' A' ' 17' ' ' VAL . 27.1 mt -126.14 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.4 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -128.12 151.1 49.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.9 mm -125.97 144.05 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.84 103.74 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.61 125.78 30.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' B' ' 29' ' ' ILE . 14.9 t -98.36 122.08 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.87 142.93 50.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' B' ' 4' ' ' ILE . 29.4 tp -116.0 153.25 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -99.3 -31.61 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' HD21 ' A' ' 39' ' ' LEU . 40.0 t0 -87.48 86.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -49.97 -44.19 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.76 -32.19 59.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.06 -13.59 35.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.6 -35.86 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.41 -49.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.84 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.727 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.7 m -55.47 -39.62 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -58.28 -50.31 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.6 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -55.37 -46.65 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.798 HD11 HG21 ' B' ' 5' ' ' THR . 10.2 tt -51.55 -54.74 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.57 76.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -70.62 -24.5 62.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.06 123.18 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.73 124.15 18.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.622 HG13 HD11 ' B' ' 27' ' ' LEU . 30.4 mm -83.29 -47.45 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.798 HG21 HD11 ' A' ' 52' ' ' LEU . 5.9 t -171.19 -176.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.15 125.27 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.406 ' CE2' HG21 ' A' ' 37' ' ' VAL . 20.2 m-85 -114.63 176.03 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.28 48.67 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -176.47 143.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -51.79 -49.05 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.86 -53.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.533 ' HB1' HG21 ' B' ' 29' ' ' ILE . . . -48.84 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -55.96 -43.67 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.6 -58.98 5.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 8.6 m-85 -50.2 -49.98 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.711 HG21 HG12 ' B' ' 29' ' ' ILE . 76.0 t -66.58 -23.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -69.15 -59.61 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.54 -33.31 74.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.424 ' HG3' ' HB ' ' B' ' 25' ' ' VAL . 1.3 tpt -71.48 -39.17 71.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.72 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -71.42 -12.66 61.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -90.79 -1.03 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.49 54.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.727 HG11 ' CG1' ' A' ' 48' ' ' VAL . 10.3 t -109.19 113.03 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.457 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.9 mm -79.97 127.51 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' B' ' 17' ' ' VAL . 1.1 mm? -121.96 157.89 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.427 HG21 ' CH2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.64 150.73 49.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.722 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.4 mm -125.46 145.19 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.63 103.83 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.88 127.21 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 29' ' ' ILE . 5.4 t -99.25 125.59 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -132.2 142.88 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 4' ' ' ILE . 40.2 tp -114.56 152.42 31.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.484 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.23 -29.28 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.419 ' O ' HD21 ' B' ' 39' ' ' LEU . 44.8 t0 -91.14 88.28 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -49.7 -42.83 46.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -32.86 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.36 -13.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.06 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -65.61 -47.43 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.546 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.34 -54.85 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.682 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.9 m -56.47 -38.32 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -59.52 -51.01 71.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.96 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.15 -46.1 79.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.814 HD11 HG21 ' A' ' 5' ' ' THR . 9.7 tt -51.6 -54.37 28.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.6 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -68.14 -23.48 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -86.71 -44.85 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 7' ' ' PHE . 15.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.502 ' HE1' ' HB2' ' B' ' 40' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 3' ' ' MET . 0.9 OUTLIER -119.2 123.15 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' MET . . . . . 0.427 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.31 125.95 25.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.57 ' HB ' HG23 ' B' ' 37' ' ' VAL . 12.0 mm -91.38 -48.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 52' ' ' LEU . 10.5 t -177.12 -176.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 p -135.02 149.03 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.53 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.9 m-85 -128.04 163.07 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.16 144.75 9.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -48.2 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.62 -50.23 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.09 -53.54 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.54 -56.58 9.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -59.0 -51.13 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -47.38 64.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' HD12 ' B' ' 52' ' ' LEU . 3.2 m-85 -58.34 -61.26 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.602 HG11 HG12 ' A' ' 29' ' ' ILE . 32.6 m -57.59 -21.9 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -70.49 -59.33 2.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -64.71 -22.67 67.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.536 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.1 OUTLIER -79.82 -41.33 26.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.06 82.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -69.48 -13.15 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -95.57 -4.29 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.1 16.62 22.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.674 HG11 ' CG1' ' B' ' 48' ' ' VAL . 14.2 t -128.36 111.41 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -81.66 133.55 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' HG12 ' A' ' 17' ' ' VAL . 22.1 mt -126.41 160.0 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 134.29 49.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.639 ' CD1' HG12 ' B' ' 37' ' ' VAL . 33.4 mm -108.51 143.32 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.64 102.83 8.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.2 125.72 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.652 HG22 ' CD1' ' B' ' 29' ' ' ILE . 2.5 t -100.46 119.88 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.7 140.36 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.8 tp -109.96 152.53 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -101.68 -28.22 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.7 t0 -89.61 87.28 6.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.53 -44.07 46.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -54.88 -33.54 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -13.59 40.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.95 -36.48 38.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -65.3 -49.14 70.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -56.11 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.727 ' CG1' HG11 ' B' ' 25' ' ' VAL . 26.6 m -54.84 -39.35 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.61 -52.61 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -58.33 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.24 -47.66 71.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD11 HG21 ' B' ' 5' ' ' THR . 8.1 tt -51.65 -57.8 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.35 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.23 -21.98 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.56 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.762 0.315 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.47 121.67 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.13 121.59 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 39' ' ' LEU . 26.7 mm -80.2 -47.35 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.812 HG21 HD11 ' A' ' 52' ' ' LEU . 12.6 t -176.07 176.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -127.32 130.66 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 37' ' ' VAL . 23.7 m-85 -118.19 171.26 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.13 38.65 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.34 143.03 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -48.36 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.406 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.84 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.3 t -68.27 -55.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.4 -58.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -57.62 -49.82 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.82 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.72 HG11 HG12 ' B' ' 29' ' ' ILE . 35.1 m -58.68 -23.98 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.06 -59.88 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -79.08 -39.93 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.31 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -72.45 -12.61 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -93.26 -4.38 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.25 14.48 28.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.727 HG11 ' CG1' ' A' ' 48' ' ' VAL . 10.7 t -128.09 112.42 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.87 133.68 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.469 ' HB3' HG12 ' B' ' 17' ' ' VAL . 32.3 mt -127.27 161.0 29.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 138.44 53.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.72 HG12 HG11 ' B' ' 17' ' ' VAL . 42.5 mm -116.2 143.38 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 103.04 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -80.55 122.12 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -99.02 131.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.04 149.78 52.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.464 HD21 ' O ' ' B' ' 41' ' ' ASP . 34.8 tp -113.14 153.94 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HB2' ' HE1' ' A' ' 1' ' ' MET . . . -100.87 -31.49 11.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.464 ' O ' HD21 ' B' ' 39' ' ' LEU . 15.5 t0 -88.29 90.65 8.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -48.99 -45.57 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.66 -31.68 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.41 -14.1 41.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.03 -37.42 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.83 -44.36 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.567 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.86 -54.89 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.674 ' CG1' HG11 ' A' ' 25' ' ' VAL . 17.4 m -55.46 -40.24 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -59.45 -53.48 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.73 -60.0 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.37 -45.24 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -53.05 -57.71 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.42 -39.69 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.28 -37.55 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.53 HD21 ' HE1' ' A' ' 7' ' ' PHE . 83.7 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.404 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.1 tp -119.97 123.47 43.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.15 128.48 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' B' ' 39' ' ' LEU . 31.8 mm -88.82 -45.27 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 HD11 ' B' ' 52' ' ' LEU . 11.6 t -175.71 179.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -131.8 139.64 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.577 ' CE1' HD21 ' B' ' 56' ' ' LEU . 24.8 m-85 -133.75 161.54 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.05 32.2 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -156.48 141.0 11.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.737 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -51.02 -46.05 61.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.04 -55.53 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.55 -59.98 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -56.19 -45.75 79.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.91 79.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' B' ' 52' ' ' LEU . 4.4 m-85 -60.21 -60.63 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG11 HG12 ' A' ' 29' ' ' ILE . 35.3 m -58.98 -23.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.02 -59.74 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -25.22 68.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.536 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.2 mmt -76.86 -43.47 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.08 95.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -70.46 -12.78 61.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -96.49 -3.61 42.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.72 16.67 23.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG21 ' HD2' ' B' ' 47' ' ' ARG . 57.5 t -127.84 112.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -82.29 133.17 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' A' ' 17' ' ' VAL . 24.7 mt -130.26 162.34 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 146.78 50.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.742 ' CD1' HG22 ' B' ' 37' ' ' VAL . 40.6 mm -124.94 144.1 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.98 103.93 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -86.47 128.55 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.748 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.2 t -99.66 122.42 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.73 148.84 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' B' ' 4' ' ' ILE . 43.3 tp -122.29 152.24 40.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.87 -31.97 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -88.01 88.52 7.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 49.4 mt-10 -48.87 -41.12 32.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -53.35 -37.53 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -87.18 -14.14 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -53.13 -26.25 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -78.39 -53.32 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.799 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.19 -35.39 71.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.74 ' CG1' HG11 ' B' ' 25' ' ' VAL . 34.6 m -74.05 -40.67 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.5 mtt180 -59.33 -43.01 92.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.87 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.08 -43.65 78.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -60.63 -51.51 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.14 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -77.51 -26.2 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.9 tp -119.77 123.58 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.18 128.46 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.574 HG13 HD11 ' B' ' 27' ' ' LEU . 30.7 mm -89.61 -45.02 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.547 HG21 HD11 ' A' ' 52' ' ' LEU . 10.5 t -175.75 -179.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -133.12 138.97 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -132.8 161.19 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.94 35.27 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -157.37 140.49 10.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.5 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -52.54 -46.28 66.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.83 -54.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -60.25 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -57.05 -44.85 83.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.1 78.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.615 ' CD1' HD12 ' A' ' 52' ' ' LEU . 4.5 m-85 -58.84 -57.59 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.685 HG11 HG12 ' B' ' 29' ' ' ILE . 27.4 m -61.48 -23.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.71 -60.02 2.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.41 ' HA ' HG22 ' B' ' 22' ' ' THR . 0.4 OUTLIER -63.99 -25.59 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.514 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.3 mmt -74.71 -44.94 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.78 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.41 HG22 ' HA ' ' B' ' 19' ' ' TYR . 14.7 t -69.81 -12.79 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.53 -3.73 42.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.64 16.96 22.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.799 HG21 ' HD2' ' A' ' 47' ' ' ARG . 59.8 t -128.33 112.07 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.458 ' O ' HD22 ' B' ' 27' ' ' LEU . 48.8 mm -83.14 125.99 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.678 ' HB3' HG12 ' B' ' 17' ' ' VAL . 0.7 OUTLIER -122.29 163.25 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.424 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.21 147.0 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.748 ' CD1' HG22 ' A' ' 37' ' ' VAL . 39.2 mm -124.74 144.68 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.08 103.69 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.38 127.31 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.742 HG22 ' CD1' ' A' ' 29' ' ' ILE . 7.5 t -99.35 122.97 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.68 146.41 52.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 4' ' ' ILE . 42.4 tp -119.5 152.7 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -100.07 -31.69 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -88.37 88.33 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -48.88 -41.36 33.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.0 m -53.36 -37.06 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.426 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.2 OUTLIER -87.95 -13.68 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.405 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -53.52 -26.21 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -78.3 -53.26 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.818 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -57.89 -35.38 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.75 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.4 m -74.33 -40.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.431 ' N ' HG23 ' B' ' 48' ' ' VAL . 1.4 mtt180 -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.44 -55.68 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -56.29 -42.79 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -61.96 -51.04 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.74 -32.83 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -78.02 -28.5 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.72 -35.86 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.577 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.7 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.775 0.321 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.63 122.35 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 119.84 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.56 HD12 HG21 ' B' ' 48' ' ' VAL . 30.7 mm -79.03 -47.0 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.781 HG21 HD11 ' B' ' 52' ' ' LEU . 10.6 t -175.82 -179.34 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.35 126.62 31.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' B' ' 56' ' ' LEU . 26.0 m-85 -114.88 159.13 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.99 18.9 19.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.39 142.6 17.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -51.02 -50.57 58.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.97 -51.8 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -51.43 -63.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -53.9 -43.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -55.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -52.11 -47.6 65.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.632 HG21 HG12 ' A' ' 29' ' ' ILE . 71.7 t -66.23 -27.9 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.14 -60.32 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -26.26 68.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.48 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.3 mmt -76.19 -38.84 56.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.51 78.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -69.34 -13.04 62.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -93.35 -4.35 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 13.8 30.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.758 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.2 t -128.22 112.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 111.101 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.29 133.14 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.522 ' CB ' HG22 ' A' ' 17' ' ' VAL . 30.4 mt -128.0 162.47 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.05 150.77 50.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.743 ' CD1' HG22 ' B' ' 37' ' ' VAL . 43.9 mm -125.61 145.41 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.99 104.73 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -95.45 127.85 41.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' B' ' 29' ' ' ILE . 6.1 t -99.01 121.18 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.79 144.36 51.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.543 HD13 HD23 ' B' ' 27' ' ' LEU . 27.2 tp -117.87 152.86 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.2 -29.35 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.457 ' O ' HD21 ' A' ' 39' ' ' LEU . 54.3 t0 -86.85 86.91 7.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -49.79 -44.71 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -54.82 -33.35 61.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -13.45 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.27 -34.24 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.82 -50.64 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -54.27 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.747 ' CG1' HG11 ' B' ' 25' ' ' VAL . 31.4 m -56.28 -41.47 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.8 -51.36 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.53 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -52.29 -48.8 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.794 HD11 HG21 ' B' ' 5' ' ' THR . 10.4 tt -51.56 -52.51 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.89 72.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -25.53 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.11 122.59 41.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 120.71 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.0 mm -79.16 -47.09 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.794 HG21 HD11 ' A' ' 52' ' ' LEU . 11.1 t -175.99 -179.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.18 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 37' ' ' VAL . 27.0 m-85 -114.89 163.38 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.14 29.08 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.11 140.98 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -53.65 -48.24 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.63 -50.37 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.77 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -54.27 -46.56 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -53.31 55.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.79 -51.5 55.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.671 HG21 HG12 ' B' ' 29' ' ' ILE . 39.9 t -62.51 -29.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.34 -59.51 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -60.76 -27.8 68.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.514 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.23 -38.84 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.02 82.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -69.12 -13.0 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -94.06 -4.11 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.02 13.16 32.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.747 HG11 ' CG1' ' A' ' 48' ' ' VAL . 3.9 t -128.42 112.56 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -82.81 133.19 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.582 ' HB2' HG22 ' B' ' 17' ' ' VAL . 29.8 mt -126.73 163.76 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 149.95 50.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.713 ' CD1' HG22 ' A' ' 37' ' ' VAL . 42.2 mm -125.58 144.99 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.07 104.75 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.851 0.358 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -91.19 128.18 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.743 HG22 ' CD1' ' A' ' 29' ' ' ILE . 11.6 t -98.3 121.81 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.12 144.27 51.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.546 ' HB3' HD11 ' A' ' 4' ' ' ILE . 32.7 tp -117.79 153.63 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.422 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -104.07 -27.84 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.477 ' O ' HD21 ' B' ' 39' ' ' LEU . 55.6 t0 -89.25 88.88 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -49.24 -43.67 42.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.3 m -54.22 -34.9 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.452 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.1 OUTLIER -87.95 -13.52 41.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.92 -27.92 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.34 -51.05 10.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.72 -35.91 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.3 m -73.45 -41.0 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.435 ' N ' HG23 ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.27 -43.16 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.39 -56.57 9.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -57.46 -41.37 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.781 HD11 HG21 ' A' ' 5' ' ' THR . 10.3 tt -59.14 -53.12 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.85 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -75.25 -25.93 58.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -86.31 -41.28 14.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 7' ' ' PHE . 12.7 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.3 123.13 42.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 126.35 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.712 HG13 HD11 ' A' ' 27' ' ' LEU . 23.4 mm -87.32 -46.07 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.614 HG21 HD11 ' B' ' 52' ' ' LEU . 9.0 t -175.7 -177.3 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 p -135.27 132.3 37.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' B' ' 56' ' ' LEU . 33.9 m-85 -122.0 171.39 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.16 44.63 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -175.29 142.09 0.68 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -45.9 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -50.74 -53.2 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG11 ' CE1' ' A' ' 7' ' ' PHE . 61.9 t -60.96 -53.67 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -62.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -51.91 -47.87 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -59.1 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.625 ' CD2' HD12 ' B' ' 52' ' ' LEU . 9.2 m-85 -50.01 -54.03 22.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.709 HG22 ' HB3' ' A' ' 27' ' ' LEU . 74.0 t -61.31 -23.3 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -69.3 -59.74 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 20' ' ' MET . 0.6 OUTLIER -63.89 -24.08 67.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.472 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -76.92 -41.42 43.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.41 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 t -67.48 -12.83 61.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -94.95 -2.44 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 1.12 51.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.713 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.8 t -112.75 112.09 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.34 125.34 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.712 HD11 HG13 ' A' ' 4' ' ' ILE . 1.4 mm? -119.74 162.81 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 150.34 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.706 HG12 HG21 ' A' ' 17' ' ' VAL . 47.0 mm -126.19 145.32 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.79 105.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.899 0.381 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -80.53 128.83 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.738 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.2 t -99.22 123.09 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.583 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.6 145.96 52.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HB3' HD11 ' B' ' 4' ' ' ILE . 38.0 tp -118.66 153.0 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.05 -31.53 11.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' HD21 ' A' ' 39' ' ' LEU . 60.2 t0 -89.27 88.7 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -48.7 -39.11 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.5 -36.78 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -85.05 -14.71 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.86 -40.19 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -62.72 -52.14 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -59.79 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.77 ' CG1' HG11 ' B' ' 25' ' ' VAL . 33.6 m -50.81 -37.32 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -61.37 -54.35 44.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -55.11 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.72 -48.55 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.555 HD11 HG21 ' B' ' 5' ' ' THR . 0.7 OUTLIER -52.09 -50.42 61.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.66 90.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -71.47 -20.05 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.82 124.75 46.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.57 129.19 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.652 HG13 HD11 ' B' ' 27' ' ' LEU . 28.6 mm -90.51 -44.03 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.555 HG21 HD11 ' A' ' 52' ' ' LEU . 10.4 t -176.12 -178.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 19.4 p -132.77 133.52 43.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -128.12 167.24 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.9 51.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.51 141.38 0.75 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.68 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -50.94 -48.59 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.37 -54.32 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' B' ' 29' ' ' ILE . . . -50.78 -62.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -53.94 -51.73 62.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.04 -49.84 49.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -56.93 -50.99 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -61.2 -29.93 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.99 -59.98 2.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.489 ' HA ' ' HE3' ' B' ' 20' ' ' MET . 1.6 mmt -72.32 -44.06 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.35 80.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -63.07 -16.26 59.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -90.19 -2.91 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.1 54.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.77 HG11 ' CG1' ' A' ' 48' ' ' VAL . 8.5 t -110.93 114.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.7 124.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.685 HD12 ' CG1' ' A' ' 37' ' ' VAL . 1.4 mm? -118.66 161.93 19.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -129.71 150.53 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.738 ' CD1' HG22 ' A' ' 37' ' ' VAL . 29.8 mm -125.35 144.18 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.17 104.94 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -81.26 126.83 32.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.694 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.4 t -99.33 124.2 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.82 146.17 52.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.602 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.9 tp -117.57 153.45 33.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.464 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -102.5 -28.74 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.467 ' O ' HD21 ' B' ' 39' ' ' LEU . 60.5 t0 -90.61 88.95 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.78 -40.02 27.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.57 -36.62 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -85.41 -14.41 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.08 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.57 -47.99 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.713 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.8 m -53.82 -37.22 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -61.39 -55.57 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -55.69 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -55.4 -48.16 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.73 -49.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -67.09 -22.82 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -87.66 -34.65 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 tp -119.75 122.94 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.57 125.3 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' B' ' 39' ' ' LEU . 27.8 mm -84.88 -47.45 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.623 HG21 HD11 ' B' ' 52' ' ' LEU . 11.7 t -173.91 179.34 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -130.96 127.95 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.544 ' CE1' HD21 ' B' ' 56' ' ' LEU . 15.7 m-85 -118.03 174.51 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.85 47.96 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -175.94 140.68 0.57 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -40.55 5.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -56.26 -49.76 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 t -65.76 -53.11 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.427 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.21 -62.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -55.19 -48.92 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.5 -58.21 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.646 ' CD2' HD12 ' B' ' 52' ' ' LEU . 6.6 m-85 -50.8 -50.77 55.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 27' ' ' LEU . 90.6 t -64.72 -21.86 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.94 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -61.99 -31.67 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.8 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.543 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -72.9 -40.71 65.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -72.28 -12.63 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -91.88 -0.78 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.0 -4.29 52.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.632 HG11 ' CG1' ' B' ' 48' ' ' VAL . 10.5 t -110.59 112.24 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.14 132.66 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.694 ' HB2' HG13 ' A' ' 17' ' ' VAL . 32.9 mt -125.28 163.44 22.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.49 150.96 51.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.73 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.8 mm -125.55 144.18 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.33 103.77 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.93 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.04 128.06 35.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.6 t -99.56 120.32 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.93 142.68 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 4' ' ' ILE . 31.8 tp -115.0 152.93 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -101.01 -29.42 12.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' HD21 ' A' ' 39' ' ' LEU . 13.9 t0 -88.6 87.02 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -49.34 -43.63 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -34.61 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -87.43 -13.85 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.42 -36.5 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.86 -49.35 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' CD ' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.88 -53.31 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.722 ' CG1' HG11 ' B' ' 25' ' ' VAL . 29.5 m -58.95 -38.49 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.02 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.68 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.08 -47.98 74.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.732 HD11 HG21 ' B' ' 5' ' ' THR . 0.4 OUTLIER -53.11 -53.59 48.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.59 71.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -72.17 -24.09 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.44 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -119.59 119.88 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 119.37 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 39' ' ' LEU . 27.9 mm -76.56 -47.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.732 HG21 HD11 ' A' ' 52' ' ' LEU . 13.3 t -174.33 176.0 2.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -127.19 126.72 43.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.06 171.19 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.82 47.68 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -174.12 142.16 0.85 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -45.53 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -52.48 -50.1 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.53 -57.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.418 ' O ' HG22 ' B' ' 17' ' ' VAL . . . -47.56 -58.02 4.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.68 -45.05 90.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.8 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.712 ' CD2' HD12 ' A' ' 52' ' ' LEU . 5.0 m-85 -59.65 -58.16 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.61 HG12 ' CB ' ' B' ' 27' ' ' LEU . 26.9 m -62.85 -21.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.76 -59.85 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 1.1 p90 -62.78 -31.77 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.439 ' HE1' ' HA ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.5 -37.74 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.39 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -73.75 -12.8 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -90.35 -1.08 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.68 -4.36 53.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.722 HG11 ' CG1' ' A' ' 48' ' ' VAL . 16.5 t -108.35 112.38 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.31 133.4 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.61 ' CB ' HG12 ' B' ' 17' ' ' VAL . 40.3 mt -126.7 162.74 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.15 148.02 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.711 ' CD1' HG22 ' A' ' 37' ' ' VAL . 43.0 mm -125.59 144.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.16 103.9 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.09 129.33 35.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.73 HG22 ' CD1' ' A' ' 29' ' ' ILE . 8.9 t -99.03 122.57 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.44 143.83 51.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 4' ' ' ILE . 42.7 tp -115.89 153.5 31.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.462 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.43 -30.87 11.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.41 ' O ' HD21 ' B' ' 39' ' ' LEU . 14.7 t0 -90.45 89.25 7.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.21 -42.5 40.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -33.65 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -88.27 -13.95 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -38.73 37.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.08 -45.58 80.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.564 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.7 -53.88 52.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.632 ' CG1' HG11 ' A' ' 25' ' ' VAL . 26.9 m -57.82 -38.29 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -52.39 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.05 14.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.92 -44.71 78.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.646 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -54.13 -50.8 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.38 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -70.44 -20.41 62.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -87.68 -36.79 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.544 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 122.44 41.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.37 122.29 12.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.612 HG13 HD11 ' A' ' 27' ' ' LEU . 26.5 mm -83.11 -45.79 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.555 HG21 HD11 ' B' ' 52' ' ' LEU . 11.3 t -175.73 -179.28 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -134.02 135.02 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' B' ' 56' ' ' LEU . 37.2 m-85 -127.81 170.35 12.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.02 40.86 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -165.83 140.69 3.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.34 3.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -54.66 -50.7 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 7' ' ' PHE . 84.0 t -63.86 -55.64 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -48.64 -62.63 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -54.63 -43.22 72.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -57.38 12.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.755 ' CD1' HD12 ' B' ' 52' ' ' LEU . 9.0 m-85 -51.32 -47.55 62.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HG12 ' A' ' 29' ' ' ILE . 100.0 t -67.12 -26.91 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -68.15 -61.02 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.428 ' HA ' HG22 ' A' ' 22' ' ' THR . 0.3 OUTLIER -64.2 -26.78 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.509 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.6 mmt -73.49 -41.94 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -42.67 87.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.428 HG22 ' HA ' ' A' ' 19' ' ' TYR . 12.9 t -71.18 -12.58 61.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -92.78 -4.12 53.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.21 12.24 34.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.754 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.4 t -127.71 113.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' HD22 ' A' ' 27' ' ' LEU . 50.2 mm -80.69 129.03 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 4' ' ' ILE . 2.5 mm? -123.69 161.19 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.51 150.96 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 17' ' ' VAL . 43.8 mm -125.82 145.83 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.59 104.31 8.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.29 126.12 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' B' ' 29' ' ' ILE . 10.7 t -99.64 120.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.569 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.98 145.81 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' B' ' 4' ' ' ILE . 31.6 tp -118.81 152.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -103.27 -27.62 12.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.475 ' O ' HD21 ' A' ' 39' ' ' LEU . 15.4 t0 -88.89 88.23 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.24 -43.7 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -53.55 -35.13 60.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 48' ' ' VAL . 2.2 mp0 -88.21 -14.14 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.16 -26.22 16.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -78.73 -54.61 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -56.4 -35.94 68.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' B' ' 25' ' ' VAL . 35.4 m -74.54 -40.94 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -58.2 -41.99 85.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.65 -57.02 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.47 -44.17 76.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.616 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -61.13 -50.94 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.8 66.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -80.05 -26.76 39.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.401 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.03 121.56 39.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 120.75 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 48' ' ' VAL . 30.6 mm -79.07 -46.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.492 HG21 ' CZ ' ' B' ' 7' ' ' PHE . 13.8 t -176.09 176.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -128.23 130.96 48.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.492 ' CZ ' HG21 ' B' ' 5' ' ' THR . 22.8 m-85 -124.33 166.6 15.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.99 36.29 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.47 141.58 8.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -47.85 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -48.77 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.92 -55.61 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.43 ' O ' HG22 ' B' ' 17' ' ' VAL . . . -49.31 -60.05 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -56.91 -44.12 82.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.8 83.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.616 ' CD1' HD12 ' A' ' 52' ' ' LEU . 4.2 m-85 -60.33 -59.8 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.701 HG11 HG12 ' B' ' 29' ' ' ILE . 24.3 m -60.04 -24.3 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -68.88 -60.63 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.524 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.2 mmt -76.88 -40.85 46.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.49 85.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -72.7 -12.55 61.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -93.25 -4.27 52.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 13.95 29.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.758 HG11 ' CG1' ' A' ' 48' ' ' VAL . 5.3 t -128.11 112.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.2 133.59 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.59 ' HB3' HG12 ' B' ' 17' ' ' VAL . 26.0 mt -128.56 162.86 26.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.14 146.57 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' A' ' 37' ' ' VAL . 38.1 mm -125.13 144.09 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.7 103.67 8.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.96 127.73 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 29' ' ' ILE . 7.1 t -98.77 123.0 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.76 146.48 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.0 tp -118.7 153.49 34.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.429 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.9 -27.92 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.477 ' O ' HD21 ' B' ' 39' ' ' LEU . 15.6 t0 -89.89 89.58 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -49.72 -44.32 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -53.9 -32.44 53.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -89.78 -14.61 34.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.17 -28.84 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -77.72 -51.29 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.02 -35.61 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.754 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.0 m -74.9 -39.17 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.409 ' N ' HG23 ' B' ' 48' ' ' VAL . 1.1 mtt180 -59.21 -45.81 90.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.48 -54.15 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.5 -46.62 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.755 HD12 ' CD1' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -59.4 -49.85 76.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -34.2 68.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -74.41 -31.73 62.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -80.04 -32.98 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 7' ' ' PHE . 6.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 tp -119.92 123.95 44.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 130.37 46.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.4 mm -92.59 -45.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.769 HG21 HD11 ' B' ' 52' ' ' LEU . 6.2 t -175.12 -174.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -134.59 127.26 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.44 ' HE1' HD21 ' B' ' 56' ' ' LEU . 17.1 m-85 -115.14 162.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.5 39.32 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -166.6 141.19 3.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 -51.79 -51.05 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.55 -51.22 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . -49.09 -62.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -53.5 -47.32 69.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -58.73 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.26 -52.54 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.583 HG21 HG12 ' A' ' 29' ' ' ILE . 89.3 t -62.18 -24.32 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.08 -59.4 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -63.96 -25.55 68.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.544 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -75.73 -41.4 53.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.63 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 19' ' ' TYR . 12.4 t -67.85 -12.77 61.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -94.25 -3.66 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.05 7.01 47.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.663 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.2 t -121.08 113.16 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.1 mm -80.75 128.64 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' HG22 ' A' ' 17' ' ' VAL . 4.4 mm? -120.44 162.35 19.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.37 150.8 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' B' ' 37' ' ' VAL . 37.9 mm -125.08 142.91 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.81 103.29 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.56 126.28 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.3 t -99.34 119.24 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.55 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.6 143.73 51.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.45 HD21 ' O ' ' A' ' 41' ' ' ASP . 29.5 tp -116.63 151.88 35.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -100.96 -29.51 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.45 ' O ' HD21 ' A' ' 39' ' ' LEU . 22.4 t0 -87.56 86.41 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -49.63 -44.7 47.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -34.34 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.98 -13.8 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.41 -35.56 39.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -66.22 -48.79 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.65 -54.44 47.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.711 ' CG1' HG11 ' B' ' 25' ' ' VAL . 25.4 m -56.51 -39.33 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -58.74 -52.14 66.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -57.4 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.56 -48.3 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.783 HD11 HG21 ' B' ' 5' ' ' THR . 10.4 tt -50.65 -52.39 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.55 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -68.23 -25.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.74 119.57 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.14 117.85 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.512 HG13 HD11 ' B' ' 27' ' ' LEU . 26.9 mm -75.26 -48.55 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.783 HG21 HD11 ' A' ' 52' ' ' LEU . 7.3 t -176.2 -175.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -134.7 141.52 46.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -131.29 161.57 32.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.45 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.96 139.33 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -53.03 -46.34 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.43 -52.82 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.39 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -56.66 -44.35 81.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.78 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.423 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 3.1 m-85 -58.57 -58.28 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.689 HG11 HG12 ' B' ' 29' ' ' ILE . 30.8 m -59.58 -25.73 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.84 -59.9 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.3 OUTLIER -63.72 -25.06 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.456 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -75.37 -40.31 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.63 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.422 HG22 ' HA ' ' B' ' 19' ' ' TYR . 12.7 t -70.18 -12.78 61.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -93.27 -4.18 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.14 11.99 35.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.711 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.6 t -126.48 112.74 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.549 ' C ' HD22 ' B' ' 27' ' ' LEU . 49.3 mm -80.52 133.39 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.654 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -126.04 161.45 27.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.01 146.1 50.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' A' ' 37' ' ' VAL . 42.7 mm -125.21 143.3 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.01 103.12 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.94 0.4 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.46 130.39 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.1 t -98.85 127.32 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.98 141.38 47.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.544 ' HB3' HD11 ' A' ' 4' ' ' ILE . 49.4 tp -109.57 153.95 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.425 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.7 -32.23 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.413 ' O ' HD21 ' B' ' 39' ' ' LEU . 19.2 t0 -90.93 89.71 7.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.16 -40.29 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -33.94 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -89.28 -14.35 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.9 -38.29 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -67.7 -46.33 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.572 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.31 -52.79 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.663 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.7 m -57.41 -39.07 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.33 -51.96 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.33 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.94 -48.81 75.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.769 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -50.52 -51.11 50.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.46 88.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -67.31 -25.5 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -87.38 -43.83 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' B' ' 52' ' ' LEU . 7.2 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.66 118.68 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.81 118.11 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' B' ' 48' ' ' VAL . 24.2 mm -75.48 -50.02 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.517 HG21 HD11 ' B' ' 52' ' ' LEU . 14.8 t -176.37 173.53 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p -122.13 143.79 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' HE1' HD21 ' B' ' 56' ' ' LEU . 31.0 m-85 -133.68 152.22 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.93 28.49 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -152.23 138.91 12.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -49.13 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.755 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -54.61 -62.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -53.33 -43.22 67.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.26 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.09 -62.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 13' ' ' ALA . 1.5 p -55.65 -26.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -71.15 -60.16 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -31.51 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.528 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -75.6 -38.74 58.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.81 95.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -77.8 -12.41 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -90.09 0.36 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 -4.81 54.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.677 HG11 ' CG1' ' B' ' 48' ' ' VAL . 13.9 t -108.86 112.79 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.56 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 17' ' ' VAL . 49.7 mt -127.29 161.74 27.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.3 OUTLIER -127.12 144.49 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.64 ' CD1' HG22 ' B' ' 37' ' ' VAL . 29.6 mm -117.91 142.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.34 103.19 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.893 0.377 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.33 126.8 35.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.7 HG22 ' CD1' ' B' ' 29' ' ' ILE . 3.5 t -99.28 119.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.551 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.83 143.0 51.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.6 tp -115.74 150.62 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.45 -30.49 11.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.069 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' O ' HD21 ' A' ' 39' ' ' LEU . 59.0 t0 -87.05 89.38 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.52 -43.86 35.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -33.74 66.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.599 ' NE2' HG22 ' B' ' 25' ' ' VAL . 23.4 mt-30 -84.78 -14.89 46.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.92 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.01 -50.47 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.74 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.698 ' CG1' HG11 ' B' ' 25' ' ' VAL . 27.1 m -54.84 -37.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -59.57 -53.02 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 -56.64 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.91 -48.88 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.718 HD12 ' CD2' ' B' ' 16' ' ' PHE . 0.7 OUTLIER -50.76 -50.53 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.18 93.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -68.45 -19.86 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 119.69 33.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.79 119.04 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.8 mm -75.79 -48.65 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.713 HG21 HD11 ' A' ' 52' ' ' LEU . 13.0 t -175.81 174.65 2.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 p -124.26 132.85 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -125.55 161.98 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.7 35.6 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -159.77 139.5 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -46.45 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.37 -49.1 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.95 -53.3 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.48 -56.92 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.64 -51.07 71.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.84 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.718 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.2 m-85 -58.2 -61.12 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.698 HG11 HG12 ' B' ' 29' ' ' ILE . 25.7 m -58.13 -21.51 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -71.08 -59.91 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.511 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -60.84 -30.8 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.508 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.07 -37.18 55.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.78 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -76.92 -12.6 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -90.08 -0.6 57.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.57 -4.17 53.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.698 HG11 ' CG1' ' A' ' 48' ' ' VAL . 21.4 t -108.6 112.35 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.3 133.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.3 mt -126.68 161.4 28.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.69 146.69 50.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.7 ' CD1' HG22 ' A' ' 37' ' ' VAL . 41.6 mm -125.36 143.55 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 103.29 8.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.4 127.69 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.9 t -100.6 119.0 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.95 139.02 53.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.479 HD21 ' O ' ' B' ' 41' ' ' ASP . 44.0 tp -108.2 153.28 23.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.432 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.42 -29.45 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.479 ' O ' HD21 ' B' ' 39' ' ' LEU . 47.7 t0 -90.53 92.17 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -48.63 -43.62 36.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -33.65 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.499 ' NE2' HG22 ' A' ' 25' ' ' VAL . 12.7 mt-30 -84.06 -14.98 49.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.35 -38.68 63.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -64.87 -46.74 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.648 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.09 -56.72 18.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.677 ' CG1' HG11 ' A' ' 25' ' ' VAL . 24.2 m -55.41 -40.53 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -57.22 -57.09 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -61.25 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -50.2 -47.19 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.517 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -53.0 -50.8 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.22 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.53 -17.97 55.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -87.5 -37.12 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 7' ' ' PHE . 12.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.779 0.323 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 tp -119.91 121.79 39.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.61 126.99 29.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.535 HD12 HG21 ' B' ' 48' ' ' VAL . 33.3 mm -86.03 -48.37 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.753 HG21 HD11 ' B' ' 52' ' ' LEU . 6.8 t -176.45 -174.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -135.56 149.12 49.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.21 170.02 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.11 17.46 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -146.32 141.03 15.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.37 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -46.73 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.31 -55.65 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.86 -61.13 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.88 -49.5 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.45 -45.79 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.54 -62.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.652 HG11 HG12 ' A' ' 29' ' ' ILE . 27.3 m -57.2 -23.02 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.51 -59.62 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.72 67.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.553 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.4 mmt -76.19 -45.63 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.34 -12.67 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -96.75 -3.49 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.77 16.91 22.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.729 HG11 ' CG1' ' B' ' 48' ' ' VAL . 68.1 t -127.86 112.14 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -82.65 133.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.532 ' CB ' HG12 ' A' ' 17' ' ' VAL . 29.6 mt -131.89 161.83 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.98 147.21 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.733 ' CD1' HG22 ' B' ' 37' ' ' VAL . 36.7 mm -124.93 144.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.61 103.91 8.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.879 0.371 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -82.21 128.32 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' B' ' 29' ' ' ILE . 13.3 t -99.3 123.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.581 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.57 145.99 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' B' ' 4' ' ' ILE . 54.9 tp -116.69 154.97 29.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.8 -30.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 91.48 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 37.1 mt-10 -49.0 -41.36 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -53.71 -36.98 62.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.45 -14.19 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -52.89 -27.25 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.75 -52.63 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -59.01 -35.47 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.69 HG12 HG11 ' B' ' 25' ' ' VAL . 31.8 m -73.9 -40.66 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.439 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.5 mtt180 -59.59 -43.24 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.45 -57.36 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -56.08 -39.66 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 HG21 ' B' ' 5' ' ' THR . 10.5 tt -62.35 -51.76 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.93 -30.84 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -78.39 -29.19 47.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.786 0.326 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tt -119.95 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 122.98 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.636 HG13 HD11 ' B' ' 27' ' ' LEU . 29.0 mm -83.82 -46.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.752 HG21 HD11 ' A' ' 52' ' ' LEU . 7.5 t -175.4 -177.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -134.6 128.12 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -117.79 170.49 8.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.8 34.43 4.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.82 141.22 8.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -47.75 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.0 64.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -68.35 -55.21 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.8 -58.84 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.26 -47.67 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.45 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.76 -60.03 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.703 HG12 ' HB3' ' B' ' 27' ' ' LEU . 32.8 m -59.31 -23.81 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.46 -59.63 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -26.6 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.516 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -74.44 -45.3 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.01 98.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -69.07 -12.57 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -98.04 -3.68 37.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.69 17.26 21.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.69 HG11 HG12 ' A' ' 48' ' ' VAL . 64.0 t -127.52 112.07 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.52 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.0 mm -84.73 127.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.703 ' HB3' HG12 ' B' ' 17' ' ' VAL . 1.1 mm? -123.62 163.03 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.08 148.38 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.667 ' CD1' HG22 ' A' ' 37' ' ' VAL . 43.2 mm -124.76 145.94 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.67 103.46 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.859 0.362 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -85.68 125.45 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.733 HG22 ' CD1' ' A' ' 29' ' ' ILE . 5.2 t -99.36 123.38 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.79 144.86 51.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 4' ' ' ILE . 56.8 tp -115.9 154.23 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -102.62 -30.85 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.28 90.32 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -49.49 -39.93 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -53.52 -36.43 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.413 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -87.6 -14.35 40.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.419 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -52.01 -26.62 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.57 -53.7 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.533 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -57.91 -35.45 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.729 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.0 m -73.84 -41.35 53.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.448 ' N ' HG23 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -58.56 -43.0 89.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.49 -56.88 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.79 -38.65 72.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.753 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -62.81 -52.44 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.24 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -78.8 -28.44 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -82.33 -37.27 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.54 HD12 HD23 ' B' ' 52' ' ' LEU . 3.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.54 119.35 32.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.86 116.59 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.8 mm -73.97 -48.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 52' ' ' LEU . 11.2 t -174.03 -179.91 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -131.16 130.47 43.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.628 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.1 m-85 -120.03 168.18 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.79 35.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -163.57 143.44 6.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -50.89 -52.0 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 62' ' ' LEU . 94.3 t -61.23 -56.49 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.77 -59.19 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.12 -52.96 62.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.78 61.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CD2' HD12 ' B' ' 52' ' ' LEU . 2.9 m-85 -57.86 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.631 HG11 HG12 ' A' ' 29' ' ' ILE . 35.0 m -57.34 -22.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.74 -59.28 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.46 -22.63 67.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.502 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -80.55 -38.37 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -42.25 74.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -70.29 -12.5 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -94.92 -4.27 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 14.63 27.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 ' HD2' ' B' ' 47' ' ' ARG . 18.0 t -126.4 111.38 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.25 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HB3' HG12 ' A' ' 17' ' ' VAL . 32.7 mt -128.28 162.3 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 146.32 50.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.74 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.0 mm -123.94 142.77 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.08 103.5 8.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.64 101.28 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -56.24 147.64 20.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.55 109.01 4.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -151.35 126.58 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 m -109.6 102.85 11.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.89 126.22 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.707 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.2 t -99.48 118.66 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.88 143.57 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.4 tp -116.35 152.32 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -102.06 -28.25 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' HD21 ' A' ' 39' ' ' LEU . 41.9 t0 -87.81 87.9 7.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -48.68 -45.08 38.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -34.67 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.6 mp0 -87.24 -13.53 43.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -55.38 -24.61 30.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -78.82 -58.37 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.78 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -54.82 -35.82 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 32.8 m -73.29 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.3 mtp180 -58.13 -42.66 86.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -56.94 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.06 -44.1 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.614 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -60.54 -51.55 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -33.04 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.43 -26.75 46.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.738 ' CD2' HD23 ' A' ' 62' ' ' LEU . 8.4 t80 -81.66 -38.69 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' B' ' 7' ' ' PHE . 6.8 mt -56.15 -40.49 73.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -77.81 -2.07 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -113.64 72.82 1.99 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.672 0.749 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 95.97 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.42 -48.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.49 -54.88 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.738 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.4 pp -50.18 -30.8 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.669 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.829 0.347 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.43 120.86 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 116.39 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 48' ' ' VAL . 27.9 mm -73.02 -48.88 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.516 HG21 HD11 ' A' ' 52' ' ' LEU . 14.6 t -175.73 166.14 3.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -115.75 132.26 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.3 m-85 -123.9 166.66 15.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.29 41.83 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -167.82 141.34 2.78 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.74 1.11 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -47.65 65.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 62' ' ' LEU . 91.2 t -67.55 -56.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -58.39 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -57.66 -49.56 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.21 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.614 ' CD1' HD12 ' A' ' 52' ' ' LEU . 2.9 m-85 -59.4 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.706 HG11 HG12 ' B' ' 29' ' ' ILE . 28.1 m -58.57 -22.34 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.7 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -24.2 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.453 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.9 mmt -77.63 -43.52 31.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.88 95.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.31 -12.7 61.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -95.23 -4.0 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.38 23.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.78 HG21 ' HD2' ' A' ' 47' ' ' ARG . 44.1 t -128.21 112.46 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.188 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.5 mm -81.68 133.22 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.547 ' CB ' HG12 ' B' ' 17' ' ' VAL . 37.7 mt -130.46 162.42 29.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.409 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 145.89 50.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.707 ' CD1' HG22 ' A' ' 37' ' ' VAL . 44.3 mm -124.92 143.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.61 103.63 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.81 111.61 23.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -68.96 156.47 38.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.41 111.86 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -157.11 131.01 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m -110.61 101.32 9.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.53 127.41 34.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.74 HG22 ' CD1' ' A' ' 29' ' ' ILE . 9.9 t -99.7 119.51 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.94 141.26 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 4' ' ' ILE . 43.9 tp -112.68 153.32 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.437 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.26 -28.23 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.411 ' O ' HD21 ' B' ' 39' ' ' LEU . 40.5 t0 -90.63 88.97 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.54 -43.6 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -33.59 61.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -13.82 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.48 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -68.24 -48.15 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.729 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.56 -51.84 68.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.705 ' CG1' HG11 ' A' ' 25' ' ' VAL . 23.6 m -60.18 -39.76 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -59.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.79 -45.71 63.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -55.38 -56.56 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -76.25 -23.95 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.755 ' CD2' HD23 ' B' ' 62' ' ' LEU . 5.6 t80 -85.77 -37.17 19.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.628 HD21 ' HE1' ' A' ' 7' ' ' PHE . 14.0 mt -56.74 -37.78 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -78.31 -2.38 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -114.1 71.98 2.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 95.48 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.52 -50.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.47 -59.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.8 pp -48.19 -37.0 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.643 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.82 118.92 31.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.9 115.72 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 27' ' ' LEU . 25.8 mm -73.21 -47.23 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.711 HG21 HD11 ' B' ' 52' ' ' LEU . 9.8 t -175.46 -177.86 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -133.99 126.27 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.652 ' HE1' HD21 ' B' ' 56' ' ' LEU . 20.7 m-85 -117.06 166.27 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.09 50.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.62 143.01 0.68 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.331 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -51.13 -48.42 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 62' ' ' LEU . 79.3 t -64.62 -55.32 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.9 -60.19 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.6 59.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CD2' HD12 ' B' ' 52' ' ' LEU . 2.7 m-85 -57.89 -62.36 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.698 HG11 HG12 ' A' ' 29' ' ' ILE . 35.2 m -56.87 -22.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.05 -59.28 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.51 -22.47 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.442 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -79.83 -41.03 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.8 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.03 -12.81 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -95.12 -3.22 48.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.97 6.83 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.644 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.7 t -118.67 111.73 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.614 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.4 mm -81.0 132.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 26' ' ' ILE . 4.4 mm? -126.56 162.06 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 145.83 50.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' B' ' 37' ' ' VAL . 38.2 mm -123.48 143.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.06 103.01 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.98 125.35 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -135.26 88.49 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -77.19 151.87 35.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -134.52 -176.47 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 m -160.54 96.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.21 123.6 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.745 HG22 ' CD1' ' B' ' 29' ' ' ILE . 11.5 t -99.84 117.25 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.57 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.14 142.68 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 41' ' ' ASP . 28.7 tp -114.66 153.49 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -102.61 -28.67 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.466 ' O ' HD21 ' A' ' 39' ' ' LEU . 13.3 t0 -88.3 86.77 7.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.44 -44.45 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.98 -13.66 41.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.86 -35.32 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -66.66 -49.02 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.27 -54.94 41.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.0 m -55.64 -40.47 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -57.7 -52.96 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.33 -46.69 66.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.788 HD11 HG21 ' B' ' 5' ' ' THR . 8.4 tt -52.53 -57.68 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.49 63.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -73.69 -22.97 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.719 ' CD2' HD23 ' A' ' 62' ' ' LEU . 5.3 t80 -86.45 -38.22 17.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD21 ' HE1' ' B' ' 7' ' ' PHE . 15.0 mt -56.79 -37.63 71.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -78.16 -2.62 38.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -114.99 70.83 2.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 89.67 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.17 -54.16 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.73 -54.71 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.719 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.4 pp -50.18 -31.21 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.678 ' N ' HD12 ' A' ' 62' ' ' LEU . 2.3 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.41 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.78 119.2 32.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.43 114.48 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.427 ' CD1' HG21 ' A' ' 48' ' ' VAL . 22.2 mm -71.49 -49.07 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.788 HG21 HD11 ' A' ' 52' ' ' LEU . 12.8 t -175.96 177.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -127.84 125.07 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.623 ' HE1' HD21 ' A' ' 56' ' ' LEU . 25.2 m-85 -114.8 161.3 18.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.93 52.59 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.72 141.29 0.44 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -51.86 -47.06 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 62' ' ' LEU . 84.8 t -67.57 -56.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -58.77 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -57.04 -50.9 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.87 -46.31 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.67 -62.06 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.697 HG11 HG12 ' B' ' 29' ' ' ILE . 35.9 m -58.05 -22.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.15 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -64.0 -22.34 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.487 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -80.33 -39.94 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.62 84.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -72.87 -12.76 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -92.55 -3.84 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.06 11.92 35.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.723 HG11 ' CG1' ' A' ' 48' ' ' VAL . 13.5 t -125.45 112.44 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.088 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.56 133.6 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.484 ' HB3' HG12 ' B' ' 17' ' ' VAL . 29.3 mt -128.73 161.06 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.72 144.53 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.745 ' CD1' HG22 ' A' ' 37' ' ' VAL . 41.8 mm -122.14 143.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.03 109.28 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.97 134.54 35.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -119.58 95.06 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -85.71 140.64 30.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -152.25 166.62 31.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -160.84 100.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.815 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.76 126.3 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 29' ' ' ILE . 14.4 t -99.99 118.7 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.562 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.74 140.74 51.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 4' ' ' ILE . 37.9 tp -112.45 153.1 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.44 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -102.5 -28.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.87 87.45 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.49 -44.3 45.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.02 -33.69 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -88.12 -13.64 40.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -36.82 40.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.78 -46.41 78.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.609 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.57 -54.44 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.644 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.8 m -57.26 -38.71 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -59.52 -52.99 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.22 -58.25 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.96 -43.92 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.711 HD11 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -55.1 -55.93 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.98 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -23.28 59.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.761 ' CD2' HD23 ' B' ' 62' ' ' LEU . 4.4 t80 -85.58 -37.24 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.652 HD21 ' HE1' ' A' ' 7' ' ' PHE . 13.2 mt -56.18 -38.97 71.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -78.43 -2.41 38.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -114.38 71.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.433 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.7 Cg_endo -69.77 92.15 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.652 2.235 . . . . 0.0 112.386 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.94 -61.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.37 -55.11 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.761 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.2 pp -48.89 -32.3 8.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.673 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.91 123.18 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.53 122.79 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.1 mm -84.72 -44.68 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.688 HG21 HD11 ' B' ' 52' ' ' LEU . 9.2 t -175.8 -175.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -134.46 132.64 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.3 m-85 -119.11 166.76 12.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.73 25.81 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -155.74 146.72 16.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -51.19 -49.98 59.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.32 -51.96 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' B' ' 35' ' ' SER . . . -49.96 -62.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -56.32 -49.61 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.8 -59.09 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CD2' HD12 ' B' ' 52' ' ' LEU . 5.6 m-85 -50.02 -54.56 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.601 HG21 HG12 ' A' ' 29' ' ' ILE . 93.8 t -60.73 -23.01 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.03 -59.56 2.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.96 -23.69 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.525 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -77.9 -42.65 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.03 86.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 t -68.06 -12.5 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -94.92 -1.58 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.17 52.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.676 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.3 t -108.4 112.76 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.102 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.7 mm -81.05 126.73 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 20' ' ' MET . 4.5 mm? -120.5 161.84 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.72 154.2 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.626 ' CD1' HG22 ' B' ' 37' ' ' VAL . 41.8 mm -125.15 145.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.26 104.55 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.44 96.9 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -51.14 164.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.39 65.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -108.43 97.18 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.73 100.23 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.32 126.77 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.75 HG22 ' CD1' ' B' ' 29' ' ' ILE . 13.0 t -101.36 119.83 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.4 145.75 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 41' ' ' ASP . 26.7 tp -118.94 151.93 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.96 -28.91 12.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.468 ' O ' HD21 ' A' ' 39' ' ' LEU . 60.5 t0 -87.29 86.11 7.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.83 -43.99 49.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 m -54.88 -33.79 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.798 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -13.52 39.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.3 38.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.86 -50.13 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.2 -54.97 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.686 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.5 m -55.82 -41.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.8 mtt180 -56.34 -50.74 70.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 -61.22 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -51.72 -45.79 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.693 HD11 HG21 ' B' ' 5' ' ' THR . 9.9 tt -55.29 -51.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.52 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -79.14 -23.35 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.679 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.0 t80 -86.53 -41.04 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.594 HD21 ' CE1' ' B' ' 7' ' ' PHE . 13.1 mt -58.62 -35.33 72.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -77.22 -2.62 35.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -116.92 67.9 4.26 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 88.05 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.46 -43.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.92 -57.94 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.2 pp -50.67 -27.72 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.611 ' N ' HD12 ' A' ' 62' ' ' LEU . 1.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.32 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.04 121.13 38.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.413 ' HE1' ' HB3' ' B' ' 6' ' ' SER . 0.1 OUTLIER -57.95 119.32 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.528 HG13 HD11 ' B' ' 27' ' ' LEU . 26.8 mm -78.28 -45.42 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.693 HG21 HD11 ' A' ' 52' ' ' LEU . 11.1 t -176.59 -178.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 3' ' ' MET . 1.1 p -133.95 129.8 36.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.594 ' CE1' HD21 ' A' ' 56' ' ' LEU . 26.4 m-85 -120.25 173.39 7.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.827 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.09 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -151.57 140.9 14.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -43.56 2.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -51.35 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 62' ' ' LEU . 38.1 t -65.83 -52.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -61.97 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -54.66 -53.46 54.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.79 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.474 ' HD2' HG12 ' B' ' 12' ' ' VAL . 1.4 m-85 -61.49 -62.52 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.732 HG12 ' HB3' ' B' ' 27' ' ' LEU . 17.1 m -57.29 -24.72 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.01 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -23.21 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.5 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -77.2 -43.74 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.17 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -67.62 -12.67 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -95.69 -1.67 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 -3.65 51.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.686 HG11 ' CG1' ' A' ' 48' ' ' VAL . 5.0 t -109.03 112.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' HD22 ' B' ' 27' ' ' LEU . 50.4 mm -81.57 133.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.732 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -126.98 161.73 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.414 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.37 147.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.75 ' CD1' HG22 ' A' ' 37' ' ' VAL . 34.5 mm -124.87 144.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.35 103.0 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.41 94.43 8.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -52.03 165.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.68 76.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -112.75 97.53 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.49 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -73.77 93.04 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 129.42 34.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.626 HG22 ' CD1' ' A' ' 29' ' ' ILE . 8.2 t -97.92 125.22 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.56 142.33 49.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.605 ' HB3' HD11 ' A' ' 4' ' ' ILE . 45.6 tp -114.22 154.12 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.77 -30.72 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -88.63 89.74 8.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.85 -44.01 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -54.82 -32.52 60.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.24 -13.84 37.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.47 -36.77 35.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.42 -46.1 77.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.655 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.03 -54.06 49.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.676 ' CG1' HG11 ' A' ' 25' ' ' VAL . 28.0 m -57.11 -38.56 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -60.21 -53.73 54.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.416 ' HB1' HH11 ' B' ' 54' ' ' ARG . . . -59.01 -57.36 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -54.12 -47.96 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -51.94 -54.83 25.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.416 HH11 ' HB1' ' B' ' 50' ' ' ALA . 1.1 mtt180 -72.04 -24.28 61.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.757 ' CD2' HD23 ' B' ' 62' ' ' LEU . 5.5 t80 -86.64 -34.65 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.529 HD21 ' HE1' ' A' ' 7' ' ' PHE . 29.0 mt -55.93 -38.1 69.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.17 -2.22 36.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -115.16 70.27 2.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.722 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.07 -53.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.66 -54.17 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.4 pp -48.9 -43.15 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.641 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 120.02 34.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 121.76 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.603 HG13 HD11 ' A' ' 27' ' ' LEU . 23.6 mm -81.43 -50.76 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.657 HG21 HD11 ' B' ' 52' ' ' LEU . 6.7 t -175.56 -173.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -135.05 152.73 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -136.08 165.7 25.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.53 25.25 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -154.9 141.0 12.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -51.55 -45.79 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.06 -54.26 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.17 -55.93 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -56.99 -49.15 76.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.54 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.716 ' CD2' HD12 ' B' ' 52' ' ' LEU . 4.3 m-85 -57.65 -58.54 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.729 HG11 HG12 ' A' ' 29' ' ' ILE . 32.5 m -61.1 -21.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.04 -59.62 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 1.2 p90 -63.74 -30.52 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.41 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -74.74 -38.29 62.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.02 84.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -70.96 -12.66 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -91.8 -1.34 57.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.71 -4.63 53.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.658 HG11 ' CG1' ' B' ' 48' ' ' VAL . 6.6 t -107.0 111.83 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.563 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.0 mm -81.53 131.21 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.756 HD12 HG12 ' B' ' 37' ' ' VAL . 3.1 mm? -124.37 160.54 27.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.72 140.23 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.735 ' CD1' HG22 ' B' ' 37' ' ' VAL . 30.4 mm -116.04 143.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.14 103.48 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.12 125.14 33.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -81.83 -173.1 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.21 105.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -131.19 -173.29 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 m -163.91 102.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 127.33 34.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.735 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.8 t -99.12 120.55 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.582 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.42 140.64 51.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' B' ' 4' ' ' ILE . 47.7 tp -111.14 154.84 23.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.16 -30.78 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' HD21 ' A' ' 39' ' ' LEU . 18.4 t0 -89.67 89.95 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -49.4 -43.67 44.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -33.81 63.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.51 -14.0 41.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.85 -36.14 47.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.25 -48.06 71.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.483 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -59.03 -53.89 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.694 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.0 m -57.73 -38.64 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -59.12 -51.52 69.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -58.2 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -53.65 -54.46 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' CD2' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -49.15 -50.25 38.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.44 80.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -67.51 -24.36 65.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.615 ' CD2' HD23 ' A' ' 62' ' ' LEU . 2.1 t80 -85.95 -45.42 11.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 ' CE1' ' B' ' 7' ' ' PHE . 6.3 mt -57.75 -34.39 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -78.05 -2.04 35.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -113.11 73.48 1.7 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 78.08 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.301 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.35 -40.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.79 -67.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.615 HD23 ' CD2' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -51.81 102.77 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.5 121.24 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.91 118.4 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.655 HG13 HD11 ' B' ' 27' ' ' LEU . 28.4 mm -77.44 -51.19 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.629 HG21 HD11 ' A' ' 52' ' ' LEU . 6.5 t -174.99 -175.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -134.27 152.95 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 56' ' ' LEU . 79.7 m-85 -136.42 172.51 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.27 26.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -154.99 141.55 13.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -48.69 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -53.61 -43.16 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.78 -54.38 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.41 -56.79 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -58.33 -47.84 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.97 -47.17 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.729 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.5 m-85 -57.86 -58.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.731 HG11 HG12 ' B' ' 29' ' ' ILE . 31.0 m -61.78 -21.48 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.86 -59.65 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.99 -31.2 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -37.98 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.52 88.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -73.04 -12.85 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -90.11 -1.1 57.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.51 -4.37 54.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.694 HG11 ' CG1' ' A' ' 48' ' ' VAL . 9.9 t -108.18 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' HD22 ' B' ' 27' ' ' LEU . 48.9 mm -81.24 132.44 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.675 HD12 HG12 ' A' ' 37' ' ' VAL . 2.8 mm? -125.28 161.09 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -126.9 141.83 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.735 ' CD1' HG22 ' A' ' 37' ' ' VAL . 29.2 mm -119.27 143.7 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.19 103.69 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.02 126.95 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -85.01 -172.01 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.53 108.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -130.93 -175.2 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 m -163.02 101.33 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.17 127.69 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.756 HG12 HD12 ' A' ' 27' ' ' LEU . 5.0 t -99.5 121.79 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 139.61 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -107.85 155.43 20.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.54 -30.37 10.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.29 92.28 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.48 -42.94 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -33.12 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.11 -14.05 39.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.97 45.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.45 -46.34 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.45 -53.35 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.658 ' CG1' HG11 ' A' ' 25' ' ' VAL . 29.4 m -58.52 -38.3 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.59 -52.61 64.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.13 -57.5 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.27 -53.75 49.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.716 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -49.14 -49.37 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.57 ' CD2' HD23 ' B' ' 62' ' ' LEU . 2.1 t80 -85.92 -45.38 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -57.47 -34.37 68.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.43 -1.46 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -112.94 73.74 1.63 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.626 0.726 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 78.49 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.15 -41.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -67.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' B' ' 55' ' ' PHE . 0.8 OUTLIER -54.63 105.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.4 119.05 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.01 115.7 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' B' ' 39' ' ' LEU . 25.0 mm -72.68 -49.21 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.69 HG21 HD11 ' B' ' 52' ' ' LEU . 11.7 t -175.71 178.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -126.03 142.66 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.663 ' HE1' HD21 ' B' ' 56' ' ' LEU . 19.2 m-85 -133.07 166.07 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.8 41.93 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -171.48 141.92 1.35 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -43.62 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -49.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' B' ' 62' ' ' LEU . 94.6 t -64.64 -57.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -47.81 -55.07 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -57.71 -51.4 69.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.31 -48.57 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.669 ' CD1' HD12 ' B' ' 52' ' ' LEU . 4.5 m-85 -55.48 -58.64 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.611 HG11 HG12 ' A' ' 29' ' ' ILE . 30.5 m -62.53 -21.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.52 -60.41 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 1.5 p90 -63.68 -30.87 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.523 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.26 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -71.06 -12.64 61.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -91.92 -1.24 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.77 53.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.679 HG11 ' CG1' ' B' ' 48' ' ' VAL . 12.2 t -107.02 112.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.97 133.64 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' A' ' 17' ' ' VAL . 20.7 mt -126.23 161.72 27.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.63 145.82 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.744 ' CD1' HG22 ' B' ' 37' ' ' VAL . 42.3 mm -123.15 143.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.57 103.88 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.48 110.82 18.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -60.74 -178.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -173.77 128.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -166.37 -177.63 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m -159.44 102.48 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.35 125.55 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.74 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.2 t -99.81 117.91 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.65 142.93 51.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD13 HD22 ' B' ' 27' ' ' LEU . 25.8 tp -117.13 152.42 34.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.54 -29.2 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.468 ' O ' HD21 ' A' ' 39' ' ' LEU . 11.5 t0 -87.75 86.2 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -49.74 -44.7 48.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.76 -32.82 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.39 -13.61 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.82 -35.17 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.33 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -54.55 45.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 23.8 m -55.95 -41.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.9 mtt180 -56.23 -49.48 74.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.3 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -53.83 -50.11 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.617 HD11 HG21 ' B' ' 5' ' ' THR . 8.3 tt -49.25 -55.71 11.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.72 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -71.38 -24.08 62.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.487 ' CD1' HD23 ' A' ' 62' ' ' LEU . 2.2 t80 -88.48 -39.72 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD11 ' HE1' ' B' ' 7' ' ' PHE . 7.2 mt -57.69 -32.61 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -77.98 -0.76 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -112.63 73.87 1.54 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.614 0.721 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.2 -70.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -47.43 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 63' ' ' GLU . 1.5 pp -50.28 -42.46 52.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.594 ' N ' HD12 ' A' ' 62' ' ' LEU . 2.5 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.777 0.323 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.2 119.42 33.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.02 113.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.639 HG13 HD11 ' B' ' 27' ' ' LEU . 29.4 mm -69.53 -49.11 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.617 HG21 HD11 ' A' ' 52' ' ' LEU . 6.4 t -176.11 -173.61 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -133.92 148.87 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.534 ' CE2' HG21 ' A' ' 37' ' ' VAL . 33.1 m-85 -138.86 168.07 20.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.19 38.69 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -165.86 138.53 3.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -40.28 5.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -48.23 80.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.98 -51.38 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.64 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.36 -53.3 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.68 -47.79 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 2.5 m-30 -57.54 -61.61 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.771 HG11 HG12 ' B' ' 29' ' ' ILE . 31.0 m -57.8 -21.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -70.56 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.485 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 1.1 p90 -60.76 -31.12 70.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -38.42 61.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.7 93.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -76.72 -12.63 60.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -89.46 -0.44 57.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.63 -4.51 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.723 HG11 ' CG1' ' A' ' 48' ' ' VAL . 14.3 t -108.97 112.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.48 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.9 mm -81.09 129.64 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.639 HD11 HG13 ' B' ' 4' ' ' ILE . 0.9 OUTLIER -122.77 161.28 24.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.1 145.76 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.771 HG12 HG11 ' B' ' 17' ' ' VAL . 36.8 mm -125.52 143.4 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 103.25 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.63 108.27 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -57.43 177.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -173.33 130.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -163.3 -178.25 5.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -161.16 99.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -86.64 126.55 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.744 HG22 ' CD1' ' A' ' 29' ' ' ILE . 11.6 t -99.83 118.66 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.59 141.22 51.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.482 ' HB3' HD11 ' A' ' 4' ' ' ILE . 38.3 tp -112.58 153.28 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.441 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.55 -27.74 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.426 ' O ' HD21 ' B' ' 39' ' ' LEU . 11.4 t0 -89.83 88.6 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.79 -44.05 48.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -55.04 -33.67 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.06 -13.9 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.36 -38.1 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.55 -47.72 74.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.559 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.82 -54.88 42.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.679 ' CG1' HG11 ' A' ' 25' ' ' VAL . 31.6 m -57.37 -38.78 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -58.24 -50.74 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.98 -58.45 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.36 -52.14 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.69 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -50.84 -52.84 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.95 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -73.87 -23.41 59.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.751 ' CD2' HD23 ' B' ' 62' ' ' LEU . 6.5 t80 -85.71 -36.21 20.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.663 HD21 ' HE1' ' A' ' 7' ' ' PHE . 10.2 mt -56.84 -38.13 72.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -78.54 -2.52 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -113.45 73.45 1.97 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 92.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.82 -61.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.2 -57.23 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.8 pp -48.66 -37.22 17.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.643 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -119.86 122.42 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.18 128.13 35.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' B' ' 39' ' ' LEU . 33.2 mm -88.39 -44.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.823 HG21 HD11 ' B' ' 52' ' ' LEU . 8.0 t -175.65 -177.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -134.47 128.41 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.8 m-85 -120.21 173.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.12 31.37 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.69 144.0 12.91 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.65 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.86 -52.3 42.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 62' ' ' LEU . 87.1 t -61.75 -55.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.55 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -55.06 -50.32 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.26 62.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.22 -62.22 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG11 HG12 ' A' ' 29' ' ' ILE . 33.0 m -56.62 -23.73 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -69.42 -59.47 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -63.66 -22.85 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.503 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -80.09 -38.63 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.83 -43.24 75.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -69.01 -12.75 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -94.31 -4.36 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.37 13.61 30.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.672 HG11 ' CG1' ' B' ' 48' ' ' VAL . 9.0 t -126.51 111.68 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.3 133.6 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' HB3' HG12 ' A' ' 17' ' ' VAL . 26.7 mt -127.76 162.12 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.408 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.76 147.45 49.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' B' ' 37' ' ' VAL . 38.4 mm -125.12 143.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.93 104.54 9.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.26 94.84 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -50.26 136.26 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -144.33 119.69 10.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.57 85.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.69 92.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -79.24 125.76 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.728 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.6 t -100.46 121.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.559 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 145.21 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.2 tp -117.82 153.13 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -101.72 -28.92 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' O ' HD21 ' A' ' 39' ' ' LEU . 8.4 t0 -88.9 86.49 6.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.63 -43.75 46.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -34.72 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -88.07 -13.5 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.23 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -66.48 -51.08 60.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -54.88 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.73 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.3 m -56.53 -39.68 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -51.96 67.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.07 -45.46 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.764 HD11 HG21 ' B' ' 5' ' ' THR . 10.5 tt -54.66 -53.46 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.89 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -75.47 -24.67 56.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.405 ' CD2' HD23 ' A' ' 62' ' ' LEU . 4.6 t80 -87.28 -34.35 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' B' ' 7' ' ' PHE . 11.1 mt -65.37 -33.42 75.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.34 -2.09 33.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -116.99 67.55 4.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.671 0.748 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 95.35 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.41 -44.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.2 -56.84 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 63' ' ' GLU . 1.4 pp -51.17 -24.97 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.697 ' N ' HD12 ' A' ' 62' ' ' LEU . 1.6 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.407 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.76 121.54 39.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.65 123.76 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 39' ' ' LEU . 31.2 mm -82.5 -45.63 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 52' ' ' LEU . 9.5 t -175.9 -177.39 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -134.26 127.38 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.9 m-85 -118.81 175.77 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.41 33.79 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -161.22 143.44 9.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.61 2.207 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -51.25 -49.47 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.8 t -66.94 -56.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.95 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -57.14 -50.9 71.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.72 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.5 -61.06 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.704 HG11 HG12 ' B' ' 29' ' ' ILE . 29.5 m -58.91 -23.01 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.23 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -63.9 -23.35 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.48 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -78.34 -40.25 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -41.63 85.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -72.54 -12.76 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.45 -4.37 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.39 13.39 30.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.73 HG11 ' CG1' ' A' ' 48' ' ' VAL . 7.6 t -127.88 112.83 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -80.98 133.66 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' B' ' 17' ' ' VAL . 29.4 mt -128.04 161.7 28.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.415 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.45 146.83 50.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.728 ' CD1' HG22 ' A' ' 37' ' ' VAL . 39.8 mm -125.4 144.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.92 103.98 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.73 95.12 9.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -50.95 141.87 12.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -148.99 121.38 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -171.68 86.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -65.82 93.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -80.58 126.55 31.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 29' ' ' ILE . 9.9 t -99.86 123.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.562 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.77 144.34 50.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' ' 4' ' ' ILE . 46.3 tp -116.17 152.66 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.477 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -101.08 -29.11 12.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -91.35 87.78 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.71 -42.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.41 -34.52 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -89.23 -13.55 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -35.38 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.643 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.06 -52.83 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.672 ' CG1' HG11 ' A' ' 25' ' ' VAL . 23.6 m -59.2 -40.4 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -51.61 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -60.96 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.72 -45.03 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 5' ' ' THR . 9.9 tt -55.0 -57.81 10.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.76 -34.45 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -75.07 -25.78 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -87.2 -31.82 20.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.596 HD21 ' HE1' ' A' ' 7' ' ' PHE . 12.3 mt -65.29 -34.51 78.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.04 -2.41 33.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -117.41 67.53 5.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.733 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.5 Cg_endo -69.74 94.22 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.33 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.54 -49.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.56 -52.53 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' B' ' 59' ' ' PRO . 0.9 OUTLIER -50.53 -24.4 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.699 ' N ' HD12 ' B' ' 62' ' ' LEU . 4.5 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.45 119.32 6.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.532 HG13 HD11 ' A' ' 27' ' ' LEU . 27.7 mm -78.43 -47.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.732 HG21 HD11 ' B' ' 52' ' ' LEU . 9.6 t -176.02 -177.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -134.14 132.99 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' B' ' 56' ' ' LEU . 24.6 m-85 -121.99 166.14 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.19 22.47 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -145.0 142.79 18.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -49.17 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.13 -53.08 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.05 -52.7 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.2 -46.33 68.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.35 -60.21 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.719 HG11 HG12 ' A' ' 29' ' ' ILE . 29.5 m -58.41 -21.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -72.62 -59.99 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -23.96 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.558 ' SD ' HG12 ' B' ' 48' ' ' VAL . 2.2 mmt -80.74 -41.17 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.05 94.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -71.94 -12.91 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -92.11 -1.73 57.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.09 -3.43 51.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.744 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.9 t -109.39 113.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.635 ' O ' HD22 ' A' ' 27' ' ' LEU . 50.4 mm -81.34 133.69 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.663 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.6 mm? -128.68 160.92 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.89 147.42 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.723 ' CD1' HG22 ' B' ' 37' ' ' VAL . 36.9 mm -125.31 144.26 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.98 103.48 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.87 104.86 13.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -53.98 175.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -163.72 95.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -128.57 -176.04 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.56 102.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -85.22 127.36 34.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.744 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.7 t -99.82 120.48 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.45 144.75 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.8 tp -117.64 152.8 34.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -103.65 -27.47 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.5 t0 -89.4 88.96 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -49.34 -43.72 43.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -33.95 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 48' ' ' VAL . 2.6 mp0 -89.03 -13.96 37.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -27.14 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.8 -52.71 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.25 -35.68 72.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.742 ' CG1' HG11 ' B' ' 25' ' ' VAL . 35.0 m -73.76 -42.38 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 48' ' ' VAL . 2.4 mtt180 -57.97 -42.27 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.76 -58.76 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.34 -40.43 71.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.738 HD11 HG21 ' B' ' 5' ' ' THR . 10.3 tt -61.92 -51.03 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.32 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -81.83 -24.87 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.736 ' CD2' HD23 ' A' ' 62' ' ' LEU . 5.1 t80 -86.31 -39.19 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.59 HD21 ' CE1' ' B' ' 7' ' ' PHE . 7.4 mt -57.31 -36.63 71.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.37 -2.32 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -115.37 69.91 2.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.96 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.76 -43.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.21 -59.05 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.736 HD23 ' CD2' ' A' ' 55' ' ' PHE . 1.6 pp -50.78 -28.92 10.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 120.41 36.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 119.33 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.514 HD12 HG21 ' A' ' 48' ' ' VAL . 28.9 mm -78.56 -47.35 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.738 HG21 HD11 ' A' ' 52' ' ' LEU . 9.7 t -175.87 -177.96 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -134.41 127.25 31.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.59 ' CE1' HD21 ' A' ' 56' ' ' LEU . 23.6 m-85 -115.9 163.66 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.27 25.79 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -148.08 140.63 14.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.26 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.08 -46.67 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -65.67 -53.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.42 -62.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.04 -47.99 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.35 -60.13 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.733 HG11 HG12 ' B' ' 29' ' ' ILE . 31.3 m -58.62 -22.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -72.28 -59.81 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -24.31 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.554 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.1 mmt -79.69 -42.15 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.09 96.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.09 -12.92 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.23 -1.68 56.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.17 -3.78 51.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.742 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.7 t -109.34 113.23 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.621 ' O ' HD22 ' B' ' 27' ' ' LEU . 51.3 mm -81.22 133.55 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.682 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.6 mm? -128.33 160.81 31.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.412 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.09 147.28 50.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.744 ' CD1' HG22 ' A' ' 37' ' ' VAL . 40.5 mm -125.33 144.75 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.7 103.73 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -81.11 107.18 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -54.36 176.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -165.58 95.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -127.46 -177.24 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m -159.58 99.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -84.12 126.08 32.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.723 HG22 ' CD1' ' A' ' 29' ' ' ILE . 12.3 t -99.71 120.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -128.65 144.9 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.487 HD21 ' O ' ' B' ' 41' ' ' ASP . 30.6 tp -117.82 152.67 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.403 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.14 -27.79 12.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.487 ' O ' HD21 ' B' ' 39' ' ' LEU . 17.2 t0 -88.99 88.89 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -49.42 -43.75 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -34.55 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.453 ' O ' HG22 ' B' ' 48' ' ' VAL . 2.6 mp0 -88.4 -13.91 39.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.93 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.84 -52.82 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.454 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.744 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.7 m -73.74 -42.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.459 ' N ' HG23 ' B' ' 48' ' ' VAL . 2.8 mtt180 -57.85 -41.65 82.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.41 -59.23 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -55.24 -38.99 69.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -63.45 -50.4 69.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.1 68.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -82.44 -26.84 32.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.646 ' CD2' HD23 ' B' ' 62' ' ' LEU . 6.9 t80 -85.51 -37.36 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.7 mt -57.95 -37.22 73.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.94 -2.49 37.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -116.43 69.42 4.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.565 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.2 Cg_endo -69.77 85.37 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.8 -48.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.62 -52.99 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.646 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.9 pp -49.35 -26.45 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.641 ' N ' HD12 ' B' ' 62' ' ' LEU . 6.5 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.755 0.312 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.6 119.53 33.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.01 116.65 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' B' ' 39' ' ' LEU . 26.2 mm -73.03 -49.37 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.772 HG21 HD11 ' B' ' 52' ' ' LEU . 14.5 t -175.94 175.12 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -123.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.613 ' HE1' HD21 ' B' ' 56' ' ' LEU . 15.6 m-85 -119.0 175.34 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.45 35.01 3.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.96 143.9 5.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -46.67 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -50.62 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.532 HG22 ' O ' ' B' ' 62' ' ' LEU . 59.9 t -64.38 -56.99 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.39 -57.43 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -58.69 -51.34 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.67 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.046 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.66 ' CD2' HD12 ' B' ' 52' ' ' LEU . 4.2 m-85 -57.35 -60.34 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.683 HG11 HG12 ' A' ' 29' ' ' ILE . 28.2 m -58.99 -21.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.48 -59.96 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.3 p90 -63.03 -29.78 71.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.516 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.8 OUTLIER -74.86 -38.78 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.08 85.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -71.13 -12.68 61.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -92.19 -1.1 57.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.83 -4.7 53.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' CG1' ' B' ' 48' ' ' VAL . 11.5 t -107.09 112.24 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.342 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.67 133.52 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 mt -126.94 160.55 30.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 147.01 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' B' ' 37' ' ' VAL . 39.5 mm -125.03 143.3 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.61 103.18 8.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.59 119.72 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -76.14 176.74 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -169.8 116.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -143.99 178.37 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.5 m -161.56 97.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -83.33 124.65 30.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' CD1' ' B' ' 29' ' ' ILE . 2.9 t -99.7 118.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -125.69 144.97 50.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 41' ' ' ASP . 25.9 tp -117.54 152.39 35.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -102.57 -27.71 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.472 ' O ' HD21 ' A' ' 39' ' ' LEU . 15.4 t0 -88.44 85.25 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -50.19 -44.01 52.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.88 -33.43 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -89.23 -13.44 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.02 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.4 -50.27 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -56.31 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.731 ' CG1' HG11 ' B' ' 25' ' ' VAL . 29.7 m -55.19 -37.26 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -60.03 -52.35 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.75 -54.98 40.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.13 -47.74 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.735 HD11 HG21 ' B' ' 5' ' ' THR . 0.6 OUTLIER -52.2 -52.22 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.48 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -69.06 -20.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' HD1' HD23 ' A' ' 62' ' ' LEU . 2.2 t80 -87.46 -41.59 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.572 HD21 ' HE1' ' B' ' 7' ' ' PHE . 9.4 mt -58.02 -33.59 69.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -79.2 -0.96 34.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -113.47 72.54 1.82 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.5 Cg_endo -69.72 101.36 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -177.63 -45.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -48.67 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 63' ' ' GLU . 1.1 pp -61.16 -17.51 53.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.722 ' N ' HD12 ' A' ' 62' ' ' LEU . 8.1 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.418 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.46 120.57 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 116.89 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 39' ' ' LEU . 22.9 mm -73.12 -50.44 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.735 HG21 HD11 ' A' ' 52' ' ' LEU . 13.6 t -174.87 174.52 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -124.78 134.43 52.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.572 ' HE1' HD21 ' A' ' 56' ' ' LEU . 17.8 m-85 -122.26 174.24 7.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.39 35.07 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -163.88 142.46 6.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -45.62 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 62' ' ' LEU . 84.2 t -68.93 -55.88 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.66 -56.02 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -59.45 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.86 -47.54 67.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.5 m-85 -57.99 -59.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.733 HG11 HG12 ' B' ' 29' ' ' ILE . 28.6 m -60.03 -21.86 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.64 -59.59 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -61.23 -31.08 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.73 -37.06 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.57 91.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -74.75 -12.76 60.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -90.12 -0.78 57.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 -4.68 54.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.731 HG11 ' CG1' ' A' ' 48' ' ' VAL . 13.5 t -107.89 112.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.105 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -80.93 133.59 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.68 161.57 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.97 146.55 50.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.733 HG12 HG11 ' B' ' 17' ' ' VAL . 37.0 mm -125.67 144.14 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.22 103.64 8.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -85.62 125.9 33.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -84.27 -178.84 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -171.37 118.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -147.87 179.77 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 68.8 m -159.89 103.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -87.03 125.66 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.5 t -99.54 118.66 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.53 141.91 51.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.5 tp -113.54 152.99 29.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.436 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.69 -27.49 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.442 ' O ' HD21 ' B' ' 39' ' ' LEU . 16.2 t0 -89.72 88.15 7.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.85 -44.66 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.19 -32.36 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.477 ' HG2' HG22 ' A' ' 25' ' ' VAL . 2.0 tp60 -88.55 -14.25 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -39.13 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.84 -46.81 80.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.568 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.81 -55.47 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.682 ' CG1' HG11 ' A' ' 25' ' ' VAL . 31.1 m -56.66 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -59.52 -51.74 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.0 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -55.04 -50.4 69.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 5' ' ' THR . 0.4 OUTLIER -51.04 -51.4 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.92 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.59 -21.15 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.47 ' HD1' HD23 ' B' ' 62' ' ' LEU . 2.0 t80 -87.07 -41.5 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.613 HD21 ' HE1' ' A' ' 7' ' ' PHE . 9.2 mt -58.81 -33.76 70.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -78.39 -2.05 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -117.56 67.31 5.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.658 0.742 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.721 ' HA ' HD11 ' B' ' 62' ' ' LEU . 54.0 Cg_endo -69.75 105.82 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -177.09 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.08 -40.29 5.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.721 HD11 ' HA ' ' B' ' 59' ' ' PRO . 0.4 OUTLIER -66.44 -11.0 49.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.574 ' N ' HD12 ' B' ' 62' ' ' LEU . 3.6 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.48 119.14 32.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 116.93 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.514 HG13 HD11 ' A' ' 27' ' ' LEU . 24.8 mm -74.57 -51.83 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.632 HG21 HD11 ' B' ' 52' ' ' LEU . 7.1 t -176.22 -173.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -134.95 148.63 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -129.64 160.93 31.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.21 16.59 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -147.29 140.09 14.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -49.43 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -52.26 -47.72 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.75 -50.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -51.45 -54.86 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.06 -50.83 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.34 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' HZ ' HD22 ' B' ' 56' ' ' LEU . 3.2 m-85 -58.2 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.702 HG11 HG12 ' A' ' 29' ' ' ILE . 27.3 m -57.13 -22.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.89 -59.57 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -22.59 66.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.441 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -78.29 -39.84 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.65 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.56 -12.83 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -94.38 -4.1 49.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.34 12.09 34.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.0 t -124.95 111.54 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.1 mm -81.11 132.41 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.5 mm? -126.74 161.04 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.41 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.713 ' CD1' HG22 ' B' ' 37' ' ' VAL . 30.7 mm -118.46 143.26 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.03 103.41 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.42 108.88 20.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -62.02 -174.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -171.9 108.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -147.16 106.79 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.87 102.08 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.05 128.93 35.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.731 HG22 ' CD1' ' B' ' 29' ' ' ILE . 14.2 t -99.39 121.17 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.84 143.29 50.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 41' ' ' ASP . 31.1 tp -115.85 153.01 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -102.89 -28.04 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.455 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.0 t0 -88.76 87.33 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -49.5 -44.01 45.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.32 -34.41 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.31 -13.76 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.02 48.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.61 -48.43 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.84 -53.66 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG1' HG11 ' B' ' 25' ' ' VAL . 28.7 m -57.93 -38.89 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.05 -52.24 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.45 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -54.59 -50.86 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.578 HD11 HG21 ' B' ' 5' ' ' THR . 0.7 OUTLIER -50.25 -55.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -65.75 -24.16 66.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.723 ' CD2' HD23 ' A' ' 62' ' ' LEU . 2.0 t80 -83.98 -31.46 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.485 HD22 ' HZ ' ' B' ' 16' ' ' PHE . 3.2 mm? -64.76 -37.08 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -77.82 -1.2 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -113.87 70.65 1.81 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 77.93 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.62 2.213 . . . . 0.0 112.351 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -153.69 -62.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -65.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.723 HD23 ' CD2' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -51.97 106.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.404 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 119.77 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 120.35 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.58 HG13 HD11 ' B' ' 27' ' ' LEU . 22.5 mm -78.62 -46.64 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.578 HG21 HD11 ' A' ' 52' ' ' LEU . 10.0 t -175.61 -177.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 65.5 p -134.41 128.24 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.26 161.33 19.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.24 29.33 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -151.32 140.04 13.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.727 2.284 . . . . 0.0 112.316 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -55.97 -45.01 79.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.51 -49.57 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -55.19 -49.2 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.91 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.485 ' HZ ' HD22 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -59.59 -61.7 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.666 HG11 HG12 ' B' ' 29' ' ' ILE . 28.1 m -57.09 -25.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.16 -58.95 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.54 -24.47 67.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.424 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.91 -38.33 45.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -68.98 -13.03 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.74 -4.7 49.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.2 14.1 29.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.685 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.1 t -128.0 112.42 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.62 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.2 mm -81.17 133.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.661 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -127.42 162.49 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 148.47 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.731 ' CD1' HG22 ' A' ' 37' ' ' VAL . 40.4 mm -125.28 144.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.29 103.78 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.65 107.07 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -58.44 -177.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -169.69 108.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -146.48 105.82 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m -95.56 104.7 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.84 126.92 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' A' ' 29' ' ' ILE . 3.1 t -99.68 121.43 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.99 138.56 52.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.401 HD12 ' H ' ' B' ' 40' ' ' ALA . 57.9 tp -107.98 155.0 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.401 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -105.53 -28.9 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.12 89.76 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.71 -43.25 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.66 -33.39 60.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.84 -13.68 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.29 -36.6 32.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.25 -47.58 73.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.639 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.39 -54.12 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.648 ' CG1' HG11 ' A' ' 25' ' ' VAL . 24.3 m -57.22 -39.4 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -58.36 -53.92 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.28 -57.95 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.26 -51.12 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.632 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -49.99 -54.85 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.54 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -64.12 -27.78 69.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.637 ' CD2' HD23 ' B' ' 62' ' ' LEU . 0.8 OUTLIER -82.17 -35.36 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.597 HD22 ' HZ ' ' A' ' 16' ' ' PHE . 2.8 mm? -59.57 -39.37 83.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -77.9 -1.25 30.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -114.47 69.55 2.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.645 0.736 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 76.59 1.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.65 -66.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -59.97 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.637 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.1 pp -56.96 107.31 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -119.86 124.52 46.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.5 129.5 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.563 HD11 ' HB3' ' B' ' 39' ' ' LEU . 33.5 mm -91.94 -44.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.833 HG21 HD11 ' B' ' 52' ' ' LEU . 10.3 t -175.73 -179.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -134.5 123.24 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.622 ' HE1' HD21 ' B' ' 56' ' ' LEU . 22.3 m-85 -115.22 171.79 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HB2' ' OE1' ' B' ' 34' ' ' GLN . . . -132.27 49.15 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -172.06 143.91 1.4 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -51.22 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.453 HG13 ' HB2' ' B' ' 62' ' ' LEU . 59.0 t -61.86 -56.0 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -48.29 -59.84 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -57.49 -52.02 67.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.33 -48.96 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.01 -62.32 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.708 HG11 HG12 ' A' ' 29' ' ' ILE . 32.6 m -56.74 -22.56 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.36 -59.75 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HA ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -65.01 -21.99 66.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.453 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -78.12 -42.68 31.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.77 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 19' ' ' TYR . 14.7 t -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -95.44 -4.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 14.71 27.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.688 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.2 t -127.92 112.2 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.581 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.0 mm -80.75 131.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 26' ' ' ILE . 3.8 mm? -124.19 160.39 27.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.94 141.06 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.708 HG12 HG11 ' A' ' 17' ' ' VAL . 36.6 mm -116.59 142.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.86 103.95 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.45 104.42 13.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -52.29 170.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -163.35 106.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -143.9 -176.18 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.0 99.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -83.42 126.78 33.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' B' ' 29' ' ' ILE . 7.4 t -100.7 120.41 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.25 144.55 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.3 tp -117.26 153.17 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.72 -29.84 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' HD21 ' A' ' 39' ' ' LEU . 3.6 t70 -87.49 87.09 7.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -49.3 -45.06 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.97 -33.59 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -88.05 -13.56 41.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -35.02 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.1 -50.03 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -54.59 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.733 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.5 m -55.94 -40.5 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' N ' HG23 ' A' ' 48' ' ' VAL . 2.5 mtp180 -57.73 -50.88 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.99 -60.56 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.93 -48.99 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.78 HD11 HG21 ' B' ' 5' ' ' THR . 10.1 tt -50.74 -58.28 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -36.52 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -69.88 -26.5 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.728 ' CD2' HD23 ' A' ' 62' ' ' LEU . 2.6 t80 -86.39 -27.18 24.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD23 HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.58 -39.31 83.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.14 -1.42 32.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -116.25 67.73 3.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.75 78.26 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.29 -72.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -53.57 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 55' ' ' PHE . 1.5 pp -50.84 -30.63 14.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.96 122.17 40.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 121.47 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.9 mm -81.22 -46.31 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.78 HG21 HD11 ' A' ' 52' ' ' LEU . 10.0 t -176.05 -178.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -134.02 124.33 26.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.492 ' HE1' HD21 ' A' ' 56' ' ' LEU . 27.5 m-85 -114.75 171.25 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.76 46.54 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -171.96 142.51 1.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -48.73 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.91 -48.45 64.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 62' ' ' LEU . 45.0 t -66.36 -54.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.92 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.76 -52.37 65.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.44 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.521 ' HZ ' HD22 ' A' ' 56' ' ' LEU . 2.4 m-85 -57.6 -62.05 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.72 HG11 HG12 ' B' ' 29' ' ' ILE . 32.7 m -57.88 -22.65 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.39 -60.32 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.02 -24.54 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.525 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -79.4 -38.93 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.05 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -74.13 -12.56 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -91.08 -3.87 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 10.24 39.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.733 HG11 ' CG1' ' A' ' 48' ' ' VAL . 11.1 t -125.24 112.8 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.58 133.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 17' ' ' VAL . 28.8 mt -128.02 161.24 29.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.46 147.01 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' A' ' 37' ' ' VAL . 38.3 mm -124.53 144.02 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.15 103.93 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.62 103.47 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -51.31 169.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -164.06 101.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.418 ' OE1' ' HB2' ' A' ' 8' ' ' ALA . 76.9 mm-40 -137.51 -175.18 3.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m -159.22 101.44 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -86.39 128.53 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 29' ' ' ILE . 10.5 t -101.76 123.17 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.7 141.27 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 4' ' ' ILE . 55.3 tp -108.93 154.79 21.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.431 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -101.62 -31.86 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.2 90.15 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -49.79 -42.47 46.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.77 -33.12 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.92 -13.95 37.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.9 -35.33 23.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.66 -47.04 73.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.6 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.89 -53.02 62.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.688 ' CG1' HG11 ' A' ' 25' ' ' VAL . 30.4 m -58.44 -38.48 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.27 -53.76 54.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -58.95 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.71 -45.89 67.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 5' ' ' THR . 3.7 tt -53.76 -56.86 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.62 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -73.2 -24.84 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.728 ' CD2' HD23 ' B' ' 62' ' ' LEU . 3.5 t80 -86.21 -37.31 18.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.622 HD21 ' HE1' ' A' ' 7' ' ' PHE . 11.2 mt -57.15 -38.07 72.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -77.51 -2.65 36.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -116.74 68.41 4.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.417 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.6 Cg_endo -69.72 84.98 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.49 -56.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.1 -53.91 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.4 pp -50.38 -25.02 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.792 0.33 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 tp -120.08 121.94 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.41 127.16 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' B' ' 39' ' ' LEU . 30.7 mm -86.31 -44.81 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.814 HG21 HD11 ' B' ' 52' ' ' LEU . 6.4 t -173.85 -177.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.28 125.2 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.615 ' CE1' HD21 ' B' ' 56' ' ' LEU . 21.2 m-85 -114.82 173.35 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 44.02 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.46 143.49 0.86 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.75 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -50.51 -54.12 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.56 -54.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' B' ' 35' ' ' SER . . . -47.77 -62.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -53.75 -43.73 69.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.86 -58.13 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' B' ' 52' ' ' LEU . 9.5 m-85 -50.31 -50.35 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 27' ' ' LEU . 73.9 t -66.68 -23.2 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.57 -59.95 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 1.1 p90 -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.527 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -71.77 -38.14 70.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.58 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -68.02 -12.68 61.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -92.41 -1.68 56.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 -4.36 53.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' CG1' ' B' ' 48' ' ' VAL . 10.5 t -108.2 112.04 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.328 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.36 132.38 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB2' HG13 ' A' ' 17' ' ' VAL . 27.1 mt -126.14 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.4 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -128.12 151.1 49.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.9 mm -125.97 144.05 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.84 103.74 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.88 100.18 12.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -54.2 174.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -172.51 121.22 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -163.24 130.03 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.16 93.87 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.61 125.78 30.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' B' ' 29' ' ' ILE . 14.9 t -98.36 122.08 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.87 142.93 50.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' B' ' 4' ' ' ILE . 29.4 tp -116.0 153.25 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -99.3 -31.61 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' HD21 ' A' ' 39' ' ' LEU . 40.0 t0 -87.48 86.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -49.97 -44.19 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.76 -32.19 59.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.06 -13.59 35.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.6 -35.86 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.41 -49.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.84 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.727 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.7 m -55.47 -39.62 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -58.28 -50.31 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.6 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -55.37 -46.65 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.798 HD11 HG21 ' B' ' 5' ' ' THR . 10.2 tt -51.55 -54.74 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.57 76.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -70.62 -24.5 62.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.667 ' CD2' HD23 ' A' ' 62' ' ' LEU . 5.8 t80 -86.47 -42.9 13.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.573 HD21 ' CE1' ' B' ' 7' ' ' PHE . 13.9 mt -56.95 -35.56 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.26 -2.01 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -113.94 72.34 2.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.676 0.75 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 85.84 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.77 -40.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.62 -58.94 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.667 HD23 ' CD2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -55.7 100.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.06 123.18 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.73 124.15 18.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.622 HG13 HD11 ' B' ' 27' ' ' LEU . 30.4 mm -83.29 -47.45 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.798 HG21 HD11 ' A' ' 52' ' ' LEU . 5.9 t -171.19 -176.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.15 125.27 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.573 ' CE1' HD21 ' A' ' 56' ' ' LEU . 20.2 m-85 -114.63 176.03 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.28 48.67 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -176.47 143.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -51.79 -49.05 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.86 -53.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.533 ' HB1' HG21 ' B' ' 29' ' ' ILE . . . -48.84 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -55.96 -43.67 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.6 -58.98 5.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 8.6 m-85 -50.2 -49.98 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.711 HG21 HG12 ' B' ' 29' ' ' ILE . 76.0 t -66.58 -23.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -69.15 -59.61 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.54 -33.31 74.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.424 ' HG3' ' HB ' ' B' ' 25' ' ' VAL . 1.3 tpt -71.48 -39.17 71.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.72 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -71.42 -12.66 61.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -90.79 -1.03 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.49 54.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.727 HG11 ' CG1' ' A' ' 48' ' ' VAL . 10.3 t -109.19 113.03 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.457 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.9 mm -79.97 127.51 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' B' ' 17' ' ' VAL . 1.1 mm? -121.96 157.89 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.427 HG21 ' CH2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.64 150.73 49.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.722 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.4 mm -125.46 145.19 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.63 103.83 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.19 107.82 19.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -66.21 178.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -174.04 119.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -161.29 131.51 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -109.04 93.94 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.88 127.21 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 29' ' ' ILE . 5.4 t -99.25 125.59 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -132.2 142.88 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 4' ' ' ILE . 40.2 tp -114.56 152.42 31.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.484 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.23 -29.28 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.419 ' O ' HD21 ' B' ' 39' ' ' LEU . 44.8 t0 -91.14 88.28 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -49.7 -42.83 46.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -32.86 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.36 -13.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.06 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -65.61 -47.43 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.546 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.34 -54.85 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.682 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.9 m -56.47 -38.32 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -59.52 -51.01 71.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.96 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.15 -46.1 79.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.814 HD11 HG21 ' A' ' 5' ' ' THR . 9.7 tt -51.6 -54.37 28.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.6 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -68.14 -23.48 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.58 ' CD2' HD23 ' B' ' 62' ' ' LEU . 3.2 t80 -86.71 -44.85 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 7' ' ' PHE . 15.9 mt -57.11 -34.6 68.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.89 -2.26 32.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -112.96 73.99 1.68 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.721 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 86.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -171.01 -38.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.63 -60.14 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.58 HD23 ' CD2' ' B' ' 55' ' ' PHE . 0.7 OUTLIER -62.85 97.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.502 ' HE1' ' HB2' ' B' ' 40' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 3' ' ' MET . 0.9 OUTLIER -119.2 123.15 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.427 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.31 125.95 25.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.57 ' HB ' HG23 ' B' ' 37' ' ' VAL . 12.0 mm -91.38 -48.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 52' ' ' LEU . 10.5 t -177.12 -176.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 p -135.02 149.03 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.53 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.9 m-85 -128.04 163.07 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -161.16 144.75 9.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -48.2 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.62 -50.23 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' O ' ' B' ' 62' ' ' LEU . 76.4 t -59.09 -53.54 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.54 -56.58 9.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -59.0 -51.13 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -47.38 64.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' HD12 ' B' ' 52' ' ' LEU . 3.2 m-85 -58.34 -61.26 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG11 HG12 ' A' ' 29' ' ' ILE . 32.6 m -57.59 -21.9 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -70.49 -59.33 2.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -64.71 -22.67 67.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.536 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.1 OUTLIER -79.82 -41.33 26.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.06 82.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -69.48 -13.15 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -95.57 -4.29 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.1 16.62 22.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.674 HG11 ' CG1' ' B' ' 48' ' ' VAL . 14.2 t -128.36 111.41 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -81.66 133.55 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' HG12 ' A' ' 17' ' ' VAL . 22.1 mt -126.41 160.0 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 134.29 49.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.639 ' CD1' HG12 ' B' ' 37' ' ' VAL . 33.4 mm -108.51 143.32 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.64 102.83 8.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 114.83 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -67.55 174.76 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -175.66 121.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -170.02 92.16 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -78.75 99.86 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.2 125.72 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.652 HG22 ' CD1' ' B' ' 29' ' ' ILE . 2.5 t -100.46 119.88 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.7 140.36 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.8 tp -109.96 152.53 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -101.68 -28.22 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.7 t0 -89.61 87.28 6.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.53 -44.07 46.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -54.88 -33.54 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -13.59 40.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.95 -36.48 38.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -65.3 -49.14 70.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -56.11 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.727 ' CG1' HG11 ' B' ' 25' ' ' VAL . 26.6 m -54.84 -39.35 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.61 -52.61 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -58.33 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.24 -47.66 71.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD11 HG21 ' B' ' 5' ' ' THR . 8.1 tt -51.65 -57.8 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.35 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.23 -21.98 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.761 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.7 t80 -86.54 -39.86 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD21 ' HE1' ' B' ' 7' ' ' PHE . 53.0 mt -57.6 -36.41 71.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.76 -2.77 37.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -113.79 72.83 2.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 94.51 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.5 -53.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -61.87 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.7 pp -50.7 -33.12 21.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.643 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.9 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.56 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.762 0.315 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.47 121.67 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.13 121.59 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 39' ' ' LEU . 26.7 mm -80.2 -47.35 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.812 HG21 HD11 ' A' ' 52' ' ' LEU . 12.6 t -176.07 176.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -127.32 130.66 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.608 ' HE1' HD21 ' A' ' 56' ' ' LEU . 23.7 m-85 -118.19 171.26 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.13 38.65 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.34 143.03 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -48.36 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.406 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.84 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 62' ' ' LEU . 82.3 t -68.27 -55.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.4 -58.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -57.62 -49.82 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.82 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.72 HG11 HG12 ' B' ' 29' ' ' ILE . 35.1 m -58.68 -23.98 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.06 -59.88 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -79.08 -39.93 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.31 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -72.45 -12.61 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -93.26 -4.38 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.25 14.48 28.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.727 HG11 ' CG1' ' A' ' 48' ' ' VAL . 10.7 t -128.09 112.42 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.87 133.68 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.469 ' HB3' HG12 ' B' ' 17' ' ' VAL . 32.3 mt -127.27 161.0 29.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 138.44 53.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.72 HG12 HG11 ' B' ' 17' ' ' VAL . 42.5 mm -116.2 143.38 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 103.04 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.32 115.68 28.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -66.95 178.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -175.8 119.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -172.57 94.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m -81.58 91.47 6.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -80.55 122.12 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -99.02 131.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.04 149.78 52.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.464 HD21 ' O ' ' B' ' 41' ' ' ASP . 34.8 tp -113.14 153.94 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HB2' ' HE1' ' A' ' 1' ' ' MET . . . -100.87 -31.49 11.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.464 ' O ' HD21 ' B' ' 39' ' ' LEU . 15.5 t0 -88.29 90.65 8.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -48.99 -45.57 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.66 -31.68 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.41 -14.1 41.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.03 -37.42 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.83 -44.36 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.567 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.86 -54.89 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.674 ' CG1' HG11 ' A' ' 25' ' ' VAL . 17.4 m -55.46 -40.24 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -59.45 -53.48 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.73 -60.0 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.37 -45.24 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -53.05 -57.71 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.42 -39.69 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.744 ' CD2' HD23 ' B' ' 62' ' ' LEU . 4.3 t80 -86.28 -37.55 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.53 HD21 ' HE1' ' A' ' 7' ' ' PHE . 83.7 mt -57.0 -37.11 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.76 -2.7 40.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -114.38 72.26 2.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.642 0.735 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 94.79 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.8 -59.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -57.37 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.744 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.3 pp -48.52 -31.94 7.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.669 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.1 tp -119.97 123.47 43.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.15 128.48 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' B' ' 39' ' ' LEU . 31.8 mm -88.82 -45.27 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 HD11 ' B' ' 52' ' ' LEU . 11.6 t -175.71 179.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -131.8 139.64 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.577 ' CE1' HD21 ' B' ' 56' ' ' LEU . 24.8 m-85 -133.75 161.54 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.05 32.2 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -156.48 141.0 11.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.737 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -51.02 -46.05 61.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.04 -55.53 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.55 -59.98 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -56.19 -45.75 79.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.91 79.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' B' ' 52' ' ' LEU . 4.4 m-85 -60.21 -60.63 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG11 HG12 ' A' ' 29' ' ' ILE . 35.3 m -58.98 -23.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.02 -59.74 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -25.22 68.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.536 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.2 mmt -76.86 -43.47 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.08 95.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -70.46 -12.78 61.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -96.49 -3.61 42.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.72 16.67 23.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG21 ' HD2' ' B' ' 47' ' ' ARG . 57.5 t -127.84 112.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -82.29 133.17 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' A' ' 17' ' ' VAL . 24.7 mt -130.26 162.34 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 146.78 50.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.742 ' CD1' HG22 ' B' ' 37' ' ' VAL . 40.6 mm -124.94 144.1 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.98 103.93 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.85 90.3 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -51.54 154.47 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.38 114.72 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -144.22 77.8 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 m -62.05 97.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -86.47 128.55 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.748 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.2 t -99.66 122.42 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.73 148.84 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' B' ' 4' ' ' ILE . 43.3 tp -122.29 152.24 40.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.87 -31.97 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -88.01 88.52 7.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 49.4 mt-10 -48.87 -41.12 32.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -53.35 -37.53 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -87.18 -14.14 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -53.13 -26.25 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -78.39 -53.32 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.799 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.19 -35.39 71.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.74 ' CG1' HG11 ' B' ' 25' ' ' VAL . 34.6 m -74.05 -40.67 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.5 mtt180 -59.33 -43.01 92.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.87 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.08 -43.65 78.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -60.63 -51.51 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.14 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -77.51 -26.2 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.774 ' CD2' HD23 ' A' ' 62' ' ' LEU . 9.0 t80 -82.62 -37.61 24.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.581 HD21 ' CE1' ' B' ' 7' ' ' PHE . 7.1 mt -56.3 -40.27 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.41 -2.34 34.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -113.41 72.98 1.84 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 92.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -147.97 -48.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.38 -55.49 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.774 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.6 pp -50.96 -30.63 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.655 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.9 tp -119.77 123.58 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.18 128.46 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.574 HG13 HD11 ' B' ' 27' ' ' LEU . 30.7 mm -89.61 -45.02 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.547 HG21 HD11 ' A' ' 52' ' ' LEU . 10.5 t -175.75 -179.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -133.12 138.97 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.581 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.1 m-85 -132.8 161.19 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.94 35.27 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -157.37 140.49 10.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.5 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -52.54 -46.28 66.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 62' ' ' LEU . 75.8 t -66.83 -54.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -60.25 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -57.05 -44.85 83.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.1 78.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.615 ' CD1' HD12 ' A' ' 52' ' ' LEU . 4.5 m-85 -58.84 -57.59 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.685 HG11 HG12 ' B' ' 29' ' ' ILE . 27.4 m -61.48 -23.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.71 -60.02 2.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.41 ' HA ' HG22 ' B' ' 22' ' ' THR . 0.4 OUTLIER -63.99 -25.59 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.514 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.3 mmt -74.71 -44.94 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.78 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.41 HG22 ' HA ' ' B' ' 19' ' ' TYR . 14.7 t -69.81 -12.79 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.53 -3.73 42.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.64 16.96 22.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.799 HG21 ' HD2' ' A' ' 47' ' ' ARG . 59.8 t -128.33 112.07 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.458 ' O ' HD22 ' B' ' 27' ' ' LEU . 48.8 mm -83.14 125.99 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.678 ' HB3' HG12 ' B' ' 17' ' ' VAL . 0.7 OUTLIER -122.29 163.25 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.424 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.21 147.0 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.748 ' CD1' HG22 ' A' ' 37' ' ' VAL . 39.2 mm -124.74 144.68 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.08 103.69 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -85.77 91.29 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -50.72 162.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.81 114.96 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -145.52 76.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -61.07 97.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.38 127.31 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.742 HG22 ' CD1' ' A' ' 29' ' ' ILE . 7.5 t -99.35 122.97 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.68 146.41 52.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 4' ' ' ILE . 42.4 tp -119.5 152.7 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -100.07 -31.69 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -88.37 88.33 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -48.88 -41.36 33.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.0 m -53.36 -37.06 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.426 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.2 OUTLIER -87.95 -13.68 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.405 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -53.52 -26.21 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -78.3 -53.26 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.818 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -57.89 -35.38 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.75 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.4 m -74.33 -40.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.431 ' N ' HG23 ' B' ' 48' ' ' VAL . 1.4 mtt180 -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.44 -55.68 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -56.29 -42.79 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -61.96 -51.04 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.74 -32.83 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -78.02 -28.5 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.744 ' CD2' HD23 ' B' ' 62' ' ' LEU . 11.8 t80 -81.72 -35.86 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.577 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.7 mt -55.87 -41.22 74.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -77.79 -2.06 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -113.56 73.52 2.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.645 0.736 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.446 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.0 Cg_endo -69.84 92.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.63 -51.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.37 -51.77 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.744 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.2 pp -49.8 -29.84 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.678 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.775 0.321 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.63 122.35 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 119.84 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.56 HD12 HG21 ' B' ' 48' ' ' VAL . 30.7 mm -79.03 -47.0 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.781 HG21 HD11 ' B' ' 52' ' ' LEU . 10.6 t -175.82 -179.34 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.35 126.62 31.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' B' ' 56' ' ' LEU . 26.0 m-85 -114.88 159.13 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.99 18.9 19.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.39 142.6 17.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -51.02 -50.57 58.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.97 -51.8 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -51.43 -63.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -53.9 -43.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -55.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -52.11 -47.6 65.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.632 HG21 HG12 ' A' ' 29' ' ' ILE . 71.7 t -66.23 -27.9 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.14 -60.32 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -26.26 68.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.48 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.3 mmt -76.19 -38.84 56.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.51 78.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -69.34 -13.04 62.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -93.35 -4.35 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 13.8 30.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.758 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.2 t -128.22 112.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 111.101 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.29 133.14 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.522 ' CB ' HG22 ' A' ' 17' ' ' VAL . 30.4 mt -128.0 162.47 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.05 150.77 50.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.743 ' CD1' HG22 ' B' ' 37' ' ' VAL . 43.9 mm -125.61 145.41 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.99 104.73 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.25 104.17 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -52.13 169.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -155.62 35.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -66.82 -171.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m -158.66 111.19 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -95.45 127.85 41.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' B' ' 29' ' ' ILE . 6.1 t -99.01 121.18 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.79 144.36 51.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.543 HD13 HD23 ' B' ' 27' ' ' LEU . 27.2 tp -117.87 152.86 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.2 -29.35 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.457 ' O ' HD21 ' A' ' 39' ' ' LEU . 54.3 t0 -86.85 86.91 7.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -49.79 -44.71 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -54.82 -33.35 61.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -13.45 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.27 -34.24 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.82 -50.64 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -54.27 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.747 ' CG1' HG11 ' B' ' 25' ' ' VAL . 31.4 m -56.28 -41.47 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.8 -51.36 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.53 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -52.29 -48.8 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.794 HD11 HG21 ' B' ' 5' ' ' THR . 10.4 tt -51.56 -52.51 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.89 72.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -25.53 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.701 ' CD2' HD23 ' A' ' 62' ' ' LEU . 4.9 t80 -86.48 -43.15 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' B' ' 7' ' ' PHE . 11.4 mt -59.03 -34.65 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.23 -2.26 33.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -112.91 74.35 1.72 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 82.9 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.262 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.12 -40.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.08 -67.4 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.701 HD23 ' CD2' ' A' ' 55' ' ' PHE . 1.2 pp -52.12 113.46 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.11 122.59 41.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 120.71 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.0 mm -79.16 -47.09 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.794 HG21 HD11 ' A' ' 52' ' ' LEU . 11.1 t -175.99 -179.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.18 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.502 ' CE1' HD21 ' A' ' 56' ' ' LEU . 27.0 m-85 -114.89 163.38 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.14 29.08 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.11 140.98 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -53.65 -48.24 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.63 -50.37 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.77 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -54.27 -46.56 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -53.31 55.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.79 -51.5 55.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.671 HG21 HG12 ' B' ' 29' ' ' ILE . 39.9 t -62.51 -29.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.34 -59.51 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -60.76 -27.8 68.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.514 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.23 -38.84 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.02 82.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -69.12 -13.0 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -94.06 -4.11 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.02 13.16 32.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.747 HG11 ' CG1' ' A' ' 48' ' ' VAL . 3.9 t -128.42 112.56 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -82.81 133.19 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.582 ' HB2' HG22 ' B' ' 17' ' ' VAL . 29.8 mt -126.73 163.76 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 149.95 50.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.713 ' CD1' HG22 ' A' ' 37' ' ' VAL . 42.2 mm -125.58 144.99 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.07 104.75 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.54 104.6 12.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -51.25 168.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -155.4 38.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.31 -173.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.9 m -157.39 105.0 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -91.19 128.18 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.743 HG22 ' CD1' ' A' ' 29' ' ' ILE . 11.6 t -98.3 121.81 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.12 144.27 51.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.546 ' HB3' HD11 ' A' ' 4' ' ' ILE . 32.7 tp -117.79 153.63 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.422 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -104.07 -27.84 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.477 ' O ' HD21 ' B' ' 39' ' ' LEU . 55.6 t0 -89.25 88.88 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -49.24 -43.67 42.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.3 m -54.22 -34.9 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.452 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.1 OUTLIER -87.95 -13.52 41.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.92 -27.92 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.34 -51.05 10.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.72 -35.91 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.3 m -73.45 -41.0 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.435 ' N ' HG23 ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.27 -43.16 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.39 -56.57 9.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -57.46 -41.37 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.781 HD11 HG21 ' A' ' 5' ' ' THR . 10.3 tt -59.14 -53.12 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.85 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -75.25 -25.93 58.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.729 ' CD2' HD23 ' B' ' 62' ' ' LEU . 13.3 t80 -86.31 -41.28 14.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 7' ' ' PHE . 12.7 mt -57.13 -36.81 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.55 -2.48 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -112.9 74.19 1.69 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 84.6 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.37 -41.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.56 -59.65 1.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.729 HD23 ' CD2' ' B' ' 55' ' ' PHE . 0.9 OUTLIER -53.0 102.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.3 123.13 42.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 126.35 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.712 HG13 HD11 ' A' ' 27' ' ' LEU . 23.4 mm -87.32 -46.07 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.614 HG21 HD11 ' B' ' 52' ' ' LEU . 9.0 t -175.7 -177.3 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 p -135.27 132.3 37.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' B' ' 56' ' ' LEU . 33.9 m-85 -122.0 171.39 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.16 44.63 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -175.29 142.09 0.68 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -45.9 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -50.74 -53.2 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.617 HG13 ' HB2' ' B' ' 62' ' ' LEU . 61.9 t -60.96 -53.67 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -62.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -51.91 -47.87 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -59.1 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.625 ' CD2' HD12 ' B' ' 52' ' ' LEU . 9.2 m-85 -50.01 -54.03 22.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.709 HG22 ' HB3' ' A' ' 27' ' ' LEU . 74.0 t -61.31 -23.3 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -69.3 -59.74 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 20' ' ' MET . 0.6 OUTLIER -63.89 -24.08 67.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.472 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -76.92 -41.42 43.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.41 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 t -67.48 -12.83 61.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -94.95 -2.44 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 1.12 51.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.713 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.8 t -112.75 112.09 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.34 125.34 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.712 HD11 HG13 ' A' ' 4' ' ' ILE . 1.4 mm? -119.74 162.81 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 150.34 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.706 HG12 HG21 ' A' ' 17' ' ' VAL . 47.0 mm -126.19 145.32 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.79 105.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.51 103.45 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -50.83 157.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -152.68 121.85 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -157.99 -178.1 7.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -159.98 92.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -80.53 128.83 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.738 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.2 t -99.22 123.09 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.583 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.6 145.96 52.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HB3' HD11 ' B' ' 4' ' ' ILE . 38.0 tp -118.66 153.0 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.05 -31.53 11.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' HD21 ' A' ' 39' ' ' LEU . 60.2 t0 -89.27 88.7 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -48.7 -39.11 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.5 -36.78 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -85.05 -14.71 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.86 -40.19 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -62.72 -52.14 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -59.79 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.77 ' CG1' HG11 ' B' ' 25' ' ' VAL . 33.6 m -50.81 -37.32 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -61.37 -54.35 44.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -55.11 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.72 -48.55 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.555 HD11 HG21 ' B' ' 5' ' ' THR . 0.7 OUTLIER -52.09 -50.42 61.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.66 90.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -71.47 -20.05 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CD1' HD23 ' A' ' 62' ' ' LEU . 4.9 t80 -88.18 -37.54 16.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' B' ' 7' ' ' PHE . 6.8 mt -57.34 -35.49 69.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.69 -1.21 29.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -112.14 76.27 1.8 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HA ' HD11 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.69 79.7 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.745 2.297 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.24 -66.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -49.46 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.693 HD23 ' CD1' ' A' ' 55' ' ' PHE . 2.2 pp -48.85 -33.05 9.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.648 ' N ' HD12 ' A' ' 62' ' ' LEU . 1.4 pt-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.82 124.75 46.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.57 129.19 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.652 HG13 HD11 ' B' ' 27' ' ' LEU . 28.6 mm -90.51 -44.03 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.555 HG21 HD11 ' A' ' 52' ' ' LEU . 10.4 t -176.12 -178.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 19.4 p -132.77 133.52 43.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' A' ' 56' ' ' LEU . 20.8 m-85 -128.12 167.24 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.9 51.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.51 141.38 0.75 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.68 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -50.94 -48.59 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 62' ' ' LEU . 48.8 t -66.37 -54.32 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' B' ' 29' ' ' ILE . . . -50.78 -62.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -53.94 -51.73 62.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.04 -49.84 49.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -56.93 -50.99 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -61.2 -29.93 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.99 -59.98 2.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.489 ' HA ' ' HE3' ' B' ' 20' ' ' MET . 1.6 mmt -72.32 -44.06 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.35 80.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -63.07 -16.26 59.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -90.19 -2.91 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.1 54.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.77 HG11 ' CG1' ' A' ' 48' ' ' VAL . 8.5 t -110.93 114.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.7 124.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.685 HD12 ' CG1' ' A' ' 37' ' ' VAL . 1.4 mm? -118.66 161.93 19.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -129.71 150.53 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.738 ' CD1' HG22 ' A' ' 37' ' ' VAL . 29.8 mm -125.35 144.18 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.17 104.94 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.23 100.47 11.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -51.46 163.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -154.17 132.02 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -167.83 -177.62 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -160.51 92.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -81.26 126.83 32.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.694 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.4 t -99.33 124.2 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.82 146.17 52.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.602 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.9 tp -117.57 153.45 33.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.464 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -102.5 -28.74 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.467 ' O ' HD21 ' B' ' 39' ' ' LEU . 60.5 t0 -90.61 88.95 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.78 -40.02 27.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.57 -36.62 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -85.41 -14.41 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.08 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.57 -47.99 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.713 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.8 m -53.82 -37.22 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -61.39 -55.57 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -55.69 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -55.4 -48.16 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.73 -49.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -67.09 -22.82 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.738 ' CE1' HD23 ' B' ' 62' ' ' LEU . 7.1 t80 -87.66 -34.65 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.2 mt -57.54 -35.87 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -79.18 -0.41 31.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -111.66 75.59 1.43 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.625 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.5 Cg_endo -69.81 78.23 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.09 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -47.77 14.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.738 HD23 ' CE1' ' B' ' 55' ' ' PHE . 0.7 OUTLIER -49.28 -48.79 45.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.56 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 tp -119.75 122.94 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.57 125.3 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' B' ' 39' ' ' LEU . 27.8 mm -84.88 -47.45 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.623 HG21 HD11 ' B' ' 52' ' ' LEU . 11.7 t -173.91 179.34 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -130.96 127.95 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.544 ' CE1' HD21 ' B' ' 56' ' ' LEU . 15.7 m-85 -118.03 174.51 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.85 47.96 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -175.94 140.68 0.57 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -40.55 5.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -56.26 -49.76 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' B' ' 62' ' ' LEU . 12.2 t -65.76 -53.11 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.427 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.21 -62.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -55.19 -48.92 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.5 -58.21 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.646 ' CD2' HD12 ' B' ' 52' ' ' LEU . 6.6 m-85 -50.8 -50.77 55.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 27' ' ' LEU . 90.6 t -64.72 -21.86 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.94 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -61.99 -31.67 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.8 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.543 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -72.9 -40.71 65.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -72.28 -12.63 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -91.88 -0.78 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.0 -4.29 52.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.632 HG11 ' CG1' ' B' ' 48' ' ' VAL . 10.5 t -110.59 112.24 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.14 132.66 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.694 ' HB2' HG13 ' A' ' 17' ' ' VAL . 32.9 mt -125.28 163.44 22.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.49 150.96 51.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.73 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.8 mm -125.55 144.18 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.33 103.77 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.95 116.44 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -68.45 -178.33 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -173.07 132.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -163.55 -179.63 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 m -163.55 100.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.04 128.06 35.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.6 t -99.56 120.32 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.93 142.68 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 4' ' ' ILE . 31.8 tp -115.0 152.93 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -101.01 -29.42 12.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' HD21 ' A' ' 39' ' ' LEU . 13.9 t0 -88.6 87.02 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -49.34 -43.63 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -34.61 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -87.43 -13.85 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.42 -36.5 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.86 -49.35 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' CD ' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.88 -53.31 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.722 ' CG1' HG11 ' B' ' 25' ' ' VAL . 29.5 m -58.95 -38.49 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.02 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.68 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.08 -47.98 74.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.732 HD11 HG21 ' B' ' 5' ' ' THR . 0.4 OUTLIER -53.11 -53.59 48.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.59 71.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -72.17 -24.09 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.751 ' CD2' HD23 ' A' ' 62' ' ' LEU . 9.9 t80 -85.23 -34.97 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.655 HD21 ' HE1' ' B' ' 7' ' ' PHE . 8.4 mt -56.87 -38.53 72.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.49 -2.44 38.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -113.68 73.14 2.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.458 ' HA ' HD11 ' A' ' 62' ' ' LEU . 54.3 Cg_endo -69.75 85.87 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.79 -61.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -53.85 4.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' A' ' 55' ' ' PHE . 1.8 pp -49.64 -38.47 32.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.633 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.6 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.44 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -119.59 119.88 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 119.37 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 39' ' ' LEU . 27.9 mm -76.56 -47.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.732 HG21 HD11 ' A' ' 52' ' ' LEU . 13.3 t -174.33 176.0 2.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -127.19 126.72 43.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.655 ' HE1' HD21 ' A' ' 56' ' ' LEU . 19.0 m-85 -120.06 171.19 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.82 47.68 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -174.12 142.16 0.85 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -45.53 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -52.48 -50.1 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 62' ' ' LEU . 63.0 t -67.53 -57.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.418 ' O ' HG22 ' B' ' 17' ' ' VAL . . . -47.56 -58.02 4.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.68 -45.05 90.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.8 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.712 ' CD2' HD12 ' A' ' 52' ' ' LEU . 5.0 m-85 -59.65 -58.16 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.61 HG12 ' CB ' ' B' ' 27' ' ' LEU . 26.9 m -62.85 -21.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.76 -59.85 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 1.1 p90 -62.78 -31.77 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.439 ' HE1' ' HA ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.5 -37.74 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.39 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -73.75 -12.8 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -90.35 -1.08 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.68 -4.36 53.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.722 HG11 ' CG1' ' A' ' 48' ' ' VAL . 16.5 t -108.35 112.38 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.31 133.4 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.61 ' CB ' HG12 ' B' ' 17' ' ' VAL . 40.3 mt -126.7 162.74 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.15 148.02 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.711 ' CD1' HG22 ' A' ' 37' ' ' VAL . 43.0 mm -125.59 144.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.16 103.9 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -84.43 117.84 23.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -69.25 -177.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -172.87 134.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -166.92 179.21 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m -161.0 101.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.09 129.33 35.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.73 HG22 ' CD1' ' A' ' 29' ' ' ILE . 8.9 t -99.03 122.57 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.44 143.83 51.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 4' ' ' ILE . 42.7 tp -115.89 153.5 31.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.462 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.43 -30.87 11.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.41 ' O ' HD21 ' B' ' 39' ' ' LEU . 14.7 t0 -90.45 89.25 7.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.21 -42.5 40.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -33.65 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -88.27 -13.95 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -38.73 37.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.08 -45.58 80.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.564 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.7 -53.88 52.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.632 ' CG1' HG11 ' A' ' 25' ' ' VAL . 26.9 m -57.82 -38.29 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -52.39 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.05 14.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.92 -44.71 78.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.646 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -54.13 -50.8 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.38 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -70.44 -20.41 62.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.715 ' CE1' HD23 ' B' ' 62' ' ' LEU . 5.4 t80 -87.68 -36.79 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.544 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.1 mt -58.46 -35.37 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.88 -1.26 30.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -112.02 75.47 1.56 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.597 ' HA ' HD11 ' B' ' 62' ' ' LEU . 54.0 Cg_endo -69.74 78.25 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.39 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.26 -64.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.95 -47.72 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' B' ' 55' ' ' PHE . 0.4 OUTLIER -49.63 -53.69 22.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.442 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 122.44 41.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.37 122.29 12.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.612 HG13 HD11 ' A' ' 27' ' ' LEU . 26.5 mm -83.11 -45.79 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.555 HG21 HD11 ' B' ' 52' ' ' LEU . 11.3 t -175.73 -179.28 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -134.02 135.02 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' B' ' 56' ' ' LEU . 37.2 m-85 -127.81 170.35 12.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.02 40.86 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -165.83 140.69 3.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.34 3.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -54.66 -50.7 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 7' ' ' PHE . 84.0 t -63.86 -55.64 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -48.64 -62.63 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -54.63 -43.22 72.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -57.38 12.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.755 ' CD1' HD12 ' B' ' 52' ' ' LEU . 9.0 m-85 -51.32 -47.55 62.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HG12 ' A' ' 29' ' ' ILE . 100.0 t -67.12 -26.91 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -68.15 -61.02 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.428 ' HA ' HG22 ' A' ' 22' ' ' THR . 0.3 OUTLIER -64.2 -26.78 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.509 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.6 mmt -73.49 -41.94 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -42.67 87.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.428 HG22 ' HA ' ' A' ' 19' ' ' TYR . 12.9 t -71.18 -12.58 61.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -92.78 -4.12 53.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.21 12.24 34.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.754 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.4 t -127.71 113.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' HD22 ' A' ' 27' ' ' LEU . 50.2 mm -80.69 129.03 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 4' ' ' ILE . 2.5 mm? -123.69 161.19 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.51 150.96 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 17' ' ' VAL . 43.8 mm -125.82 145.83 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.59 104.31 8.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -85.45 95.95 9.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -51.58 168.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -167.16 112.78 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -156.53 113.63 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.73 103.01 15.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.29 126.12 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' B' ' 29' ' ' ILE . 10.7 t -99.64 120.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.569 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.98 145.81 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' B' ' 4' ' ' ILE . 31.6 tp -118.81 152.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -103.27 -27.62 12.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.475 ' O ' HD21 ' A' ' 39' ' ' LEU . 15.4 t0 -88.89 88.23 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.24 -43.7 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -53.55 -35.13 60.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 48' ' ' VAL . 2.2 mp0 -88.21 -14.14 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.16 -26.22 16.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -78.73 -54.61 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -56.4 -35.94 68.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' B' ' 25' ' ' VAL . 35.4 m -74.54 -40.94 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -58.2 -41.99 85.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.65 -57.02 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.47 -44.17 76.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.616 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -61.13 -50.94 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.8 66.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -80.05 -26.76 39.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CD2' HD23 ' A' ' 62' ' ' LEU . 6.8 t80 -82.38 -39.0 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.595 HD21 ' CE1' ' B' ' 7' ' ' PHE . 6.8 mt -56.27 -40.36 74.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -77.09 -2.98 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -113.87 73.06 2.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.4 Cg_endo -69.76 94.93 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.298 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.28 -58.73 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -53.55 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.2 pp -49.7 -31.31 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.676 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.03 121.56 39.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 120.75 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 48' ' ' VAL . 30.6 mm -79.07 -46.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.492 HG21 ' CZ ' ' B' ' 7' ' ' PHE . 13.8 t -176.09 176.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -128.23 130.96 48.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.595 ' CE1' HD21 ' A' ' 56' ' ' LEU . 22.8 m-85 -124.33 166.6 15.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.99 36.29 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.47 141.58 8.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -47.85 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -48.77 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 62' ' ' LEU . 96.6 t -65.92 -55.61 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.43 ' O ' HG22 ' B' ' 17' ' ' VAL . . . -49.31 -60.05 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -56.91 -44.12 82.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.8 83.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.616 ' CD1' HD12 ' A' ' 52' ' ' LEU . 4.2 m-85 -60.33 -59.8 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.701 HG11 HG12 ' B' ' 29' ' ' ILE . 24.3 m -60.04 -24.3 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -68.88 -60.63 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.524 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.2 mmt -76.88 -40.85 46.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.49 85.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -72.7 -12.55 61.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -93.25 -4.27 52.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 13.95 29.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.758 HG11 ' CG1' ' A' ' 48' ' ' VAL . 5.3 t -128.11 112.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.2 133.59 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.59 ' HB3' HG12 ' B' ' 17' ' ' VAL . 26.0 mt -128.56 162.86 26.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.14 146.57 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' A' ' 37' ' ' VAL . 38.1 mm -125.13 144.09 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.7 103.67 8.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.13 93.9 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -50.81 167.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -168.71 117.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.25 110.98 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -86.37 100.1 12.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.96 127.73 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 29' ' ' ILE . 7.1 t -98.77 123.0 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.76 146.48 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.0 tp -118.7 153.49 34.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.429 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.9 -27.92 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.477 ' O ' HD21 ' B' ' 39' ' ' LEU . 15.6 t0 -89.89 89.58 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -49.72 -44.32 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -53.9 -32.44 53.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -89.78 -14.61 34.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.17 -28.84 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -77.72 -51.29 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.02 -35.61 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.754 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.0 m -74.9 -39.17 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.409 ' N ' HG23 ' B' ' 48' ' ' VAL . 1.1 mtt180 -59.21 -45.81 90.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.48 -54.15 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.5 -46.62 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.755 HD12 ' CD1' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -59.4 -49.85 76.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -34.2 68.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -74.41 -31.73 62.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.776 ' CD2' HD23 ' B' ' 62' ' ' LEU . 7.3 t80 -80.04 -32.98 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 7' ' ' PHE . 6.3 mt -55.38 -43.27 74.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.73 -2.16 34.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -113.27 73.55 1.84 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.583 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.7 Cg_endo -69.75 92.7 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -141.66 -66.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -50.69 6.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.776 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.1 pp -48.62 -32.91 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.66 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 tp -119.92 123.95 44.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 130.37 46.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.4 mm -92.59 -45.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.769 HG21 HD11 ' B' ' 52' ' ' LEU . 6.2 t -175.12 -174.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -134.59 127.26 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' HE1' HD21 ' B' ' 56' ' ' LEU . 17.1 m-85 -115.14 162.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.5 39.32 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -166.6 141.19 3.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 -51.79 -51.05 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.55 -51.22 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . -49.09 -62.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -53.5 -47.32 69.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -58.73 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' HD22 ' B' ' 62' ' ' LEU . 7.8 m-85 -50.26 -52.54 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.583 HG21 HG12 ' A' ' 29' ' ' ILE . 89.3 t -62.18 -24.32 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.08 -59.4 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -63.96 -25.55 68.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.544 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -75.73 -41.4 53.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.63 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 19' ' ' TYR . 12.4 t -67.85 -12.77 61.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -94.25 -3.66 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.05 7.01 47.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.663 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.2 t -121.08 113.16 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.1 mm -80.75 128.64 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' HG22 ' A' ' 17' ' ' VAL . 4.4 mm? -120.44 162.35 19.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.37 150.8 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' B' ' 37' ' ' VAL . 37.9 mm -125.08 142.91 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.81 103.29 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.43 106.64 18.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -61.33 170.73 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -160.66 101.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -140.53 110.23 6.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 m -94.72 99.41 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.56 126.28 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.3 t -99.34 119.24 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.55 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.6 143.73 51.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD21 ' O ' ' A' ' 41' ' ' ASP . 29.5 tp -116.63 151.88 35.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -100.96 -29.51 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.45 ' O ' HD21 ' A' ' 39' ' ' LEU . 22.4 t0 -87.56 86.41 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -49.63 -44.7 47.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -34.34 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.98 -13.8 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.41 -35.56 39.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -66.22 -48.79 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.65 -54.44 47.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.711 ' CG1' HG11 ' B' ' 25' ' ' VAL . 25.4 m -56.51 -39.33 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -58.74 -52.14 66.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -57.4 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.56 -48.3 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.783 HD11 HG21 ' B' ' 5' ' ' THR . 10.4 tt -50.65 -52.39 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.55 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -68.23 -25.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.676 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.7 t80 -86.98 -42.05 13.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD21 ' HE1' ' B' ' 7' ' ' PHE . 5.3 mt -60.86 -33.52 73.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -77.0 -1.98 31.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -112.32 75.07 1.61 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.96 -37.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.18 -71.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.676 HD23 ' CD2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -52.21 102.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.74 119.57 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.14 117.85 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.512 HG13 HD11 ' B' ' 27' ' ' LEU . 26.9 mm -75.26 -48.55 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.783 HG21 HD11 ' A' ' 52' ' ' LEU . 7.3 t -176.2 -175.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -134.7 141.52 46.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.518 ' HE1' HD21 ' A' ' 56' ' ' LEU . 55.9 m-85 -131.29 161.57 32.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.45 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.96 139.33 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -53.03 -46.34 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.43 -52.82 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.39 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -56.66 -44.35 81.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.78 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.423 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 3.1 m-85 -58.57 -58.28 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.689 HG11 HG12 ' B' ' 29' ' ' ILE . 30.8 m -59.58 -25.73 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.84 -59.9 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.3 OUTLIER -63.72 -25.06 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.456 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -75.37 -40.31 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.63 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.422 HG22 ' HA ' ' B' ' 19' ' ' TYR . 12.7 t -70.18 -12.78 61.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -93.27 -4.18 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.14 11.99 35.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.711 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.6 t -126.48 112.74 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.549 ' C ' HD22 ' B' ' 27' ' ' LEU . 49.3 mm -80.52 133.39 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.654 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -126.04 161.45 27.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.01 146.1 50.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' A' ' 37' ' ' VAL . 42.7 mm -125.21 143.3 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.01 103.12 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.43 102.99 14.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -55.6 174.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -162.73 107.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -149.7 120.26 7.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.5 m -108.01 96.58 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.46 130.39 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.1 t -98.85 127.32 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.98 141.38 47.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.544 ' HB3' HD11 ' A' ' 4' ' ' ILE . 49.4 tp -109.57 153.95 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.425 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.7 -32.23 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.413 ' O ' HD21 ' B' ' 39' ' ' LEU . 19.2 t0 -90.93 89.71 7.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.16 -40.29 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -33.94 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -89.28 -14.35 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.9 -38.29 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -67.7 -46.33 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.572 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.31 -52.79 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.663 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.7 m -57.41 -39.07 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.33 -51.96 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.33 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.94 -48.81 75.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.769 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -50.52 -51.11 50.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.46 88.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -67.31 -25.5 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.622 ' CD2' HD23 ' B' ' 62' ' ' LEU . 3.1 t80 -87.38 -43.83 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' B' ' 52' ' ' LEU . 7.2 mt -57.96 -33.49 68.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -77.75 -1.76 32.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -112.63 74.26 1.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 87.33 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.303 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.18 -37.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.32 -68.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.622 HD23 ' CD2' ' B' ' 55' ' ' PHE . 0.7 OUTLIER -53.17 102.31 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.66 118.68 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.81 118.11 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' B' ' 48' ' ' VAL . 24.2 mm -75.48 -50.02 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 HG21 HD11 ' B' ' 52' ' ' LEU . 14.8 t -176.37 173.53 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p -122.13 143.79 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' HE1' HD21 ' B' ' 56' ' ' LEU . 31.0 m-85 -133.68 152.22 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.93 28.49 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -152.23 138.91 12.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -49.13 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.755 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -54.61 -62.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -53.33 -43.22 67.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.26 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.09 -62.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 13' ' ' ALA . 1.5 p -55.65 -26.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -71.15 -60.16 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -31.51 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.528 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -75.6 -38.74 58.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.81 95.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -77.8 -12.41 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -90.09 0.36 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 -4.81 54.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.677 HG11 ' CG1' ' B' ' 48' ' ' VAL . 13.9 t -108.86 112.79 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.56 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 17' ' ' VAL . 49.7 mt -127.29 161.74 27.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.3 OUTLIER -127.12 144.49 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.64 ' CD1' HG22 ' B' ' 37' ' ' VAL . 29.6 mm -117.91 142.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.34 103.19 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -89.17 107.59 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -52.71 171.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -164.44 120.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -162.98 179.31 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -161.14 102.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.33 126.8 35.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.7 HG22 ' CD1' ' B' ' 29' ' ' ILE . 3.5 t -99.28 119.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.551 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.83 143.0 51.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.6 tp -115.74 150.62 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.45 -30.49 11.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.069 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' O ' HD21 ' A' ' 39' ' ' LEU . 59.0 t0 -87.05 89.38 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.52 -43.86 35.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -33.74 66.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.599 ' NE2' HG22 ' B' ' 25' ' ' VAL . 23.4 mt-30 -84.78 -14.89 46.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.92 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.01 -50.47 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.74 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.698 ' CG1' HG11 ' B' ' 25' ' ' VAL . 27.1 m -54.84 -37.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -59.57 -53.02 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 -56.64 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.91 -48.88 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.718 HD12 ' CD2' ' B' ' 16' ' ' PHE . 0.7 OUTLIER -50.76 -50.53 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.18 93.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -68.45 -19.86 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.616 ' HD1' HD23 ' A' ' 62' ' ' LEU . 1.4 t80 -88.84 -42.69 11.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' B' ' 7' ' ' PHE . 7.1 mt -57.11 -33.22 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.08 -1.18 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -115.33 68.94 2.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.488 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.77 78.42 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.75 -55.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.55 -45.91 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.616 HD23 ' HD1' ' A' ' 55' ' ' PHE . 2.4 pp -50.53 -26.64 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 119.69 33.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.79 119.04 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.8 mm -75.79 -48.65 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.713 HG21 HD11 ' A' ' 52' ' ' LEU . 13.0 t -175.81 174.65 2.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 p -124.26 132.85 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 56' ' ' LEU . 17.7 m-85 -125.55 161.98 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.7 35.6 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -159.77 139.5 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -46.45 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.37 -49.1 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.95 -53.3 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.48 -56.92 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.64 -51.07 71.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.84 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.718 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.2 m-85 -58.2 -61.12 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.698 HG11 HG12 ' B' ' 29' ' ' ILE . 25.7 m -58.13 -21.51 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -71.08 -59.91 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.511 ' C ' ' CD1' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -60.84 -30.8 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.508 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.07 -37.18 55.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.78 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -76.92 -12.6 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -90.08 -0.6 57.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.57 -4.17 53.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.698 HG11 ' CG1' ' A' ' 48' ' ' VAL . 21.4 t -108.6 112.35 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.3 133.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.3 mt -126.68 161.4 28.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.69 146.69 50.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.7 ' CD1' HG22 ' A' ' 37' ' ' VAL . 41.6 mm -125.36 143.55 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 103.29 8.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -85.06 111.9 20.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -57.02 177.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -171.22 126.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -163.95 -179.01 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -161.11 103.18 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.4 127.69 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.9 t -100.6 119.0 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.95 139.02 53.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.479 HD21 ' O ' ' B' ' 41' ' ' ASP . 44.0 tp -108.2 153.28 23.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.432 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.42 -29.45 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.479 ' O ' HD21 ' B' ' 39' ' ' LEU . 47.7 t0 -90.53 92.17 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -48.63 -43.62 36.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -33.65 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.499 ' NE2' HG22 ' A' ' 25' ' ' VAL . 12.7 mt-30 -84.06 -14.98 49.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.35 -38.68 63.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -64.87 -46.74 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.648 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.09 -56.72 18.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.677 ' CG1' HG11 ' A' ' 25' ' ' VAL . 24.2 m -55.41 -40.53 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -57.22 -57.09 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -61.25 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -50.2 -47.19 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.517 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -53.0 -50.8 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.22 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.53 -17.97 55.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.745 ' CE1' HD23 ' B' ' 62' ' ' LEU . 6.0 t80 -87.5 -37.12 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 7' ' ' PHE . 12.9 mt -57.71 -36.39 71.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -77.87 -0.76 28.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -111.75 75.65 1.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.589 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.9 Cg_endo -69.8 77.55 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.248 . . . . 0.0 112.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.2 -59.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.51 -47.81 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.745 HD23 ' CE1' ' B' ' 55' ' ' PHE . 0.4 OUTLIER -49.37 -54.68 16.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.472 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.779 0.323 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 tp -119.91 121.79 39.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.61 126.99 29.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.535 HD12 HG21 ' B' ' 48' ' ' VAL . 33.3 mm -86.03 -48.37 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.753 HG21 HD11 ' B' ' 52' ' ' LEU . 6.8 t -176.45 -174.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -135.56 149.12 49.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.21 170.02 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.11 17.46 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -146.32 141.03 15.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.37 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -46.73 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.31 -55.65 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.86 -61.13 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.88 -49.5 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.45 -45.79 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.54 -62.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.652 HG11 HG12 ' A' ' 29' ' ' ILE . 27.3 m -57.2 -23.02 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.51 -59.62 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.72 67.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.553 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.4 mmt -76.19 -45.63 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.34 -12.67 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -96.75 -3.49 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.77 16.91 22.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.729 HG11 ' CG1' ' B' ' 48' ' ' VAL . 68.1 t -127.86 112.14 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -82.65 133.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' CB ' HG12 ' A' ' 17' ' ' VAL . 29.6 mt -131.89 161.83 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.98 147.21 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.733 ' CD1' HG22 ' B' ' 37' ' ' VAL . 36.7 mm -124.93 144.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.61 103.91 8.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.95 99.42 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -50.52 157.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -147.15 39.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -83.94 127.06 33.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.71 100.93 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -82.21 128.32 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' B' ' 29' ' ' ILE . 13.3 t -99.3 123.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.581 ' N ' ' CD1' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.57 145.99 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' B' ' 4' ' ' ILE . 54.9 tp -116.69 154.97 29.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.8 -30.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 91.48 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 37.1 mt-10 -49.0 -41.36 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -53.71 -36.98 62.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.45 -14.19 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -52.89 -27.25 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.75 -52.63 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -59.01 -35.47 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.69 HG12 HG11 ' B' ' 25' ' ' VAL . 31.8 m -73.9 -40.66 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.439 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.5 mtt180 -59.59 -43.24 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.45 -57.36 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -56.08 -39.66 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 HG21 ' B' ' 5' ' ' THR . 10.5 tt -62.35 -51.76 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.93 -30.84 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -78.39 -29.19 47.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.667 ' CD2' HD23 ' A' ' 62' ' ' LEU . 6.5 t80 -82.38 -39.53 22.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.582 HD21 ' CE1' ' B' ' 7' ' ' PHE . 7.6 mt -56.03 -40.03 72.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -77.66 -2.27 35.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -114.09 72.24 2.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.7 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.671 2.248 . . . . 0.0 112.318 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.26 -53.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.96 -53.29 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 63' ' ' GLU . 2.5 pp -51.14 -29.02 12.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.677 ' N ' HD12 ' A' ' 62' ' ' LEU . 2.1 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.786 0.326 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tt -119.95 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 122.98 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.636 HG13 HD11 ' B' ' 27' ' ' LEU . 29.0 mm -83.82 -46.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.752 HG21 HD11 ' A' ' 52' ' ' LEU . 7.5 t -175.4 -177.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -134.6 128.12 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.582 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.4 m-85 -117.79 170.49 8.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.8 34.43 4.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.82 141.22 8.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -47.75 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.0 64.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -68.35 -55.21 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.8 -58.84 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.26 -47.67 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.45 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.76 -60.03 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.703 HG12 ' HB3' ' B' ' 27' ' ' LEU . 32.8 m -59.31 -23.81 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.46 -59.63 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -26.6 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.516 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -74.44 -45.3 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.01 98.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -69.07 -12.57 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -98.04 -3.68 37.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.69 17.26 21.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.69 HG11 HG12 ' A' ' 48' ' ' VAL . 64.0 t -127.52 112.07 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.52 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.0 mm -84.73 127.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.703 ' HB3' HG12 ' B' ' 17' ' ' VAL . 1.1 mm? -123.62 163.03 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.08 148.38 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.667 ' CD1' HG22 ' A' ' 37' ' ' VAL . 43.2 mm -124.76 145.94 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.67 103.46 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.85 100.69 11.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -51.28 159.19 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -149.0 42.69 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -86.76 125.97 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.24 102.7 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -85.68 125.45 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.733 HG22 ' CD1' ' A' ' 29' ' ' ILE . 5.2 t -99.36 123.38 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.79 144.86 51.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 4' ' ' ILE . 56.8 tp -115.9 154.23 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -102.62 -30.85 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.28 90.32 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -49.49 -39.93 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -53.52 -36.43 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.413 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -87.6 -14.35 40.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.419 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -52.01 -26.62 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.57 -53.7 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.533 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -57.91 -35.45 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.729 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.0 m -73.84 -41.35 53.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.448 ' N ' HG23 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -58.56 -43.0 89.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.49 -56.88 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.79 -38.65 72.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.753 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -62.81 -52.44 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.24 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -78.8 -28.44 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.713 ' CD2' HD23 ' B' ' 62' ' ' LEU . 6.4 t80 -82.33 -37.27 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.54 HD12 HD23 ' B' ' 52' ' ' LEU . 3.8 mt -56.3 -40.34 74.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.77 -2.31 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -114.18 72.1 2.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.413 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.9 Cg_endo -69.74 96.34 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -149.76 -56.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.69 -53.13 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.713 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.2 pp -49.46 -30.21 7.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.666 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.426 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.54 119.35 32.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.86 116.59 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.8 mm -73.97 -48.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 52' ' ' LEU . 11.2 t -174.03 -179.91 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -131.16 130.47 43.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.628 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.1 m-85 -120.03 168.18 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.79 35.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -163.57 143.44 6.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -50.89 -52.0 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.23 -56.49 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.77 -59.19 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.12 -52.96 62.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.78 61.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CD2' HD12 ' B' ' 52' ' ' LEU . 2.9 m-85 -57.86 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.631 HG11 HG12 ' A' ' 29' ' ' ILE . 35.0 m -57.34 -22.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.74 -59.28 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.46 -22.63 67.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.502 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -80.55 -38.37 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -42.25 74.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -70.29 -12.5 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -94.92 -4.27 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 14.63 27.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 ' HD2' ' B' ' 47' ' ' ARG . 18.0 t -126.4 111.38 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.25 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HB3' HG12 ' A' ' 17' ' ' VAL . 32.7 mt -128.28 162.3 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 146.32 50.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.74 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.0 mm -123.94 142.77 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.08 103.5 8.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.894 0.378 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.89 126.22 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.707 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.2 t -99.48 118.66 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.88 143.57 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.4 tp -116.35 152.32 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -102.06 -28.25 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' HD21 ' A' ' 39' ' ' LEU . 41.9 t0 -87.81 87.9 7.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -48.68 -45.08 38.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -34.67 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -87.24 -13.53 43.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -55.38 -24.61 30.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -78.82 -58.37 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.78 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -54.82 -35.82 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 32.8 m -73.29 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.3 mtp180 -58.13 -42.66 86.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -56.94 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.06 -44.1 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.614 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -60.54 -51.55 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -33.04 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.43 -26.75 46.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.829 0.347 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.43 120.86 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 116.39 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 48' ' ' VAL . 27.9 mm -73.02 -48.88 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.516 HG21 HD11 ' A' ' 52' ' ' LEU . 14.6 t -175.73 166.14 3.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -115.75 132.26 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.431 ' CZ ' HG21 ' B' ' 5' ' ' THR . 21.3 m-85 -123.9 166.66 15.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.29 41.83 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -167.82 141.34 2.78 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.74 1.11 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -47.65 65.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.55 -56.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -58.39 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -57.66 -49.56 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.21 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.614 ' CD1' HD12 ' A' ' 52' ' ' LEU . 2.9 m-85 -59.4 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.706 HG11 HG12 ' B' ' 29' ' ' ILE . 28.1 m -58.57 -22.34 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.7 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -24.2 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.453 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.9 mmt -77.63 -43.52 31.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.88 95.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.31 -12.7 61.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -95.23 -4.0 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.38 23.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.78 HG21 ' HD2' ' A' ' 47' ' ' ARG . 44.1 t -128.21 112.46 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.188 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.5 mm -81.68 133.22 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.547 ' CB ' HG12 ' B' ' 17' ' ' VAL . 37.7 mt -130.46 162.42 29.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.409 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 145.89 50.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.707 ' CD1' HG22 ' A' ' 37' ' ' VAL . 44.3 mm -124.92 143.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.61 103.63 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.53 127.41 34.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.74 HG22 ' CD1' ' A' ' 29' ' ' ILE . 9.9 t -99.7 119.51 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.94 141.26 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 4' ' ' ILE . 43.9 tp -112.68 153.32 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.437 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.26 -28.23 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.411 ' O ' HD21 ' B' ' 39' ' ' LEU . 40.5 t0 -90.63 88.97 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.54 -43.6 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -33.59 61.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -13.82 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.48 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -68.24 -48.15 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.729 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.56 -51.84 68.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.705 ' CG1' HG11 ' A' ' 25' ' ' VAL . 23.6 m -60.18 -39.76 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -59.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.79 -45.71 63.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -55.38 -56.56 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -76.25 -23.95 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -85.77 -37.17 19.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.628 HD21 ' HE1' ' A' ' 7' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.82 118.92 31.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.9 115.72 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 27' ' ' LEU . 25.8 mm -73.21 -47.23 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.711 HG21 HD11 ' B' ' 52' ' ' LEU . 9.8 t -175.46 -177.86 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -133.99 126.27 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.652 ' HE1' HD21 ' B' ' 56' ' ' LEU . 20.7 m-85 -117.06 166.27 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.09 50.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -175.62 143.01 0.68 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.331 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -51.13 -48.42 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.62 -55.32 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.9 -60.19 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.6 59.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CD2' HD12 ' B' ' 52' ' ' LEU . 2.7 m-85 -57.89 -62.36 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.698 HG11 HG12 ' A' ' 29' ' ' ILE . 35.2 m -56.87 -22.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.05 -59.28 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.51 -22.47 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.442 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -79.83 -41.03 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.8 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.03 -12.81 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -95.12 -3.22 48.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.97 6.83 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.644 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.7 t -118.67 111.73 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.614 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.4 mm -81.0 132.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 26' ' ' ILE . 4.4 mm? -126.56 162.06 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 145.83 50.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' B' ' 37' ' ' VAL . 38.2 mm -123.48 143.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.06 103.01 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.874 0.369 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.21 123.6 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.745 HG22 ' CD1' ' B' ' 29' ' ' ILE . 11.5 t -99.84 117.25 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.14 142.68 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 41' ' ' ASP . 28.7 tp -114.66 153.49 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -102.61 -28.67 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.466 ' O ' HD21 ' A' ' 39' ' ' LEU . 13.3 t0 -88.3 86.77 7.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.44 -44.45 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.98 -13.66 41.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.86 -35.32 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -66.66 -49.02 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.27 -54.94 41.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.0 m -55.64 -40.47 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -57.7 -52.96 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.33 -46.69 66.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.788 HD11 HG21 ' B' ' 5' ' ' THR . 8.4 tt -52.53 -57.68 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.49 63.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -73.69 -22.97 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.41 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.78 119.2 32.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.43 114.48 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.427 ' CD1' HG21 ' A' ' 48' ' ' VAL . 22.2 mm -71.49 -49.07 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.788 HG21 HD11 ' A' ' 52' ' ' LEU . 12.8 t -175.96 177.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -127.84 125.07 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -114.8 161.3 18.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.93 52.59 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.72 141.29 0.44 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -51.86 -47.06 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.57 -56.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -58.77 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -57.04 -50.9 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.87 -46.31 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.67 -62.06 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.697 HG11 HG12 ' B' ' 29' ' ' ILE . 35.9 m -58.05 -22.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.15 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -64.0 -22.34 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.487 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -80.33 -39.94 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.62 84.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -72.87 -12.76 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -92.55 -3.84 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.06 11.92 35.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.723 HG11 ' CG1' ' A' ' 48' ' ' VAL . 13.5 t -125.45 112.44 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.088 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.56 133.6 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.484 ' HB3' HG12 ' B' ' 17' ' ' VAL . 29.3 mt -128.73 161.06 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.72 144.53 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.745 ' CD1' HG22 ' A' ' 37' ' ' VAL . 41.8 mm -122.14 143.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.03 109.28 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.903 0.382 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.76 126.3 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 29' ' ' ILE . 14.4 t -99.99 118.7 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.562 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.74 140.74 51.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 4' ' ' ILE . 37.9 tp -112.45 153.1 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.44 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -102.5 -28.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.87 87.45 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.49 -44.3 45.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.02 -33.69 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -88.12 -13.64 40.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -36.82 40.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.78 -46.41 78.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.609 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.57 -54.44 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.644 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.8 m -57.26 -38.71 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -59.52 -52.99 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.22 -58.25 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.96 -43.92 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.711 HD11 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -55.1 -55.93 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.98 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -23.28 59.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.58 -37.24 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.652 HD21 ' HE1' ' A' ' 7' ' ' PHE . 13.2 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.91 123.18 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.53 122.79 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.1 mm -84.72 -44.68 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.688 HG21 HD11 ' B' ' 52' ' ' LEU . 9.2 t -175.8 -175.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -134.46 132.64 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.3 m-85 -119.11 166.76 12.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.73 25.81 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -155.74 146.72 16.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -51.19 -49.98 59.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.32 -51.96 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' B' ' 35' ' ' SER . . . -49.96 -62.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -56.32 -49.61 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.8 -59.09 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CD2' HD12 ' B' ' 52' ' ' LEU . 5.6 m-85 -50.02 -54.56 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.601 HG21 HG12 ' A' ' 29' ' ' ILE . 93.8 t -60.73 -23.01 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.03 -59.56 2.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.96 -23.69 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.525 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -77.9 -42.65 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.03 86.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 t -68.06 -12.5 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -94.92 -1.58 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.17 52.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.676 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.3 t -108.4 112.76 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.102 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.7 mm -81.05 126.73 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 20' ' ' MET . 4.5 mm? -120.5 161.84 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.72 154.2 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.626 ' CD1' HG22 ' B' ' 37' ' ' VAL . 41.8 mm -125.15 145.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.26 104.55 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.32 126.77 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.75 HG22 ' CD1' ' B' ' 29' ' ' ILE . 13.0 t -101.36 119.83 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.4 145.75 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 41' ' ' ASP . 26.7 tp -118.94 151.93 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.96 -28.91 12.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.468 ' O ' HD21 ' A' ' 39' ' ' LEU . 60.5 t0 -87.29 86.11 7.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.83 -43.99 49.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 m -54.88 -33.79 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.798 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -13.52 39.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.3 38.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.86 -50.13 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.2 -54.97 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.686 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.5 m -55.82 -41.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.8 mtt180 -56.34 -50.74 70.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 -61.22 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -51.72 -45.79 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.693 HD11 HG21 ' B' ' 5' ' ' THR . 9.9 tt -55.29 -51.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.52 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -79.14 -23.35 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.32 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.04 121.13 38.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . 0.413 ' HE1' ' HB3' ' B' ' 6' ' ' SER . 0.1 OUTLIER -57.95 119.32 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.528 HG13 HD11 ' B' ' 27' ' ' LEU . 26.8 mm -78.28 -45.42 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.693 HG21 HD11 ' A' ' 52' ' ' LEU . 11.1 t -176.59 -178.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 3' ' ' MET . 1.1 p -133.95 129.8 36.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.422 ' CZ ' HG21 ' B' ' 5' ' ' THR . 26.4 m-85 -120.25 173.39 7.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.827 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.09 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -151.57 140.9 14.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -43.56 2.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -51.35 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.474 HG12 ' HD2' ' B' ' 16' ' ' PHE . 38.1 t -65.83 -52.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -61.97 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -54.66 -53.46 54.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.79 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.474 ' HD2' HG12 ' B' ' 12' ' ' VAL . 1.4 m-85 -61.49 -62.52 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.732 HG12 ' HB3' ' B' ' 27' ' ' LEU . 17.1 m -57.29 -24.72 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.01 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -23.21 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.5 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -77.2 -43.74 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.17 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -67.62 -12.67 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -95.69 -1.67 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 -3.65 51.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.686 HG11 ' CG1' ' A' ' 48' ' ' VAL . 5.0 t -109.03 112.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' HD22 ' B' ' 27' ' ' LEU . 50.4 mm -81.57 133.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.732 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -126.98 161.73 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.414 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.37 147.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.75 ' CD1' HG22 ' A' ' 37' ' ' VAL . 34.5 mm -124.87 144.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.35 103.0 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.49 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 129.42 34.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.626 HG22 ' CD1' ' A' ' 29' ' ' ILE . 8.2 t -97.92 125.22 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.56 142.33 49.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.605 ' HB3' HD11 ' A' ' 4' ' ' ILE . 45.6 tp -114.22 154.12 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.77 -30.72 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -88.63 89.74 8.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.85 -44.01 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -54.82 -32.52 60.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.24 -13.84 37.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.47 -36.77 35.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.42 -46.1 77.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.655 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.03 -54.06 49.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.676 ' CG1' HG11 ' A' ' 25' ' ' VAL . 28.0 m -57.11 -38.56 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -60.21 -53.73 54.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.416 ' HB1' HH11 ' B' ' 54' ' ' ARG . . . -59.01 -57.36 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -54.12 -47.96 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -51.94 -54.83 25.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.416 HH11 ' HB1' ' B' ' 50' ' ' ALA . 1.1 mtt180 -72.04 -24.28 61.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -86.64 -34.65 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.529 HD21 ' HE1' ' A' ' 7' ' ' PHE . 29.0 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 120.02 34.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 121.76 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.603 HG13 HD11 ' A' ' 27' ' ' LEU . 23.6 mm -81.43 -50.76 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.657 HG21 HD11 ' B' ' 52' ' ' LEU . 6.7 t -175.56 -173.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -135.05 152.73 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -136.08 165.7 25.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.53 25.25 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -154.9 141.0 12.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -51.55 -45.79 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.06 -54.26 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.17 -55.93 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.99 -49.15 76.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.54 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.716 ' CD2' HD12 ' B' ' 52' ' ' LEU . 4.3 m-85 -57.65 -58.54 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.729 HG11 HG12 ' A' ' 29' ' ' ILE . 32.5 m -61.1 -21.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.04 -59.62 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.2 p90 -63.74 -30.52 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.41 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -74.74 -38.29 62.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.02 84.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -70.96 -12.66 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -91.8 -1.34 57.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.71 -4.63 53.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.658 HG11 ' CG1' ' B' ' 48' ' ' VAL . 6.6 t -107.0 111.83 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.563 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.0 mm -81.53 131.21 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.756 HD12 HG12 ' B' ' 37' ' ' VAL . 3.1 mm? -124.37 160.54 27.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.72 140.23 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.735 ' CD1' HG22 ' B' ' 37' ' ' VAL . 30.4 mm -116.04 143.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.14 103.48 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 127.33 34.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.735 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.8 t -99.12 120.55 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.42 140.64 51.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' B' ' 4' ' ' ILE . 47.7 tp -111.14 154.84 23.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.16 -30.78 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' HD21 ' A' ' 39' ' ' LEU . 18.4 t0 -89.67 89.95 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -49.4 -43.67 44.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -33.81 63.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.51 -14.0 41.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.85 -36.14 47.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.25 -48.06 71.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.483 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -59.03 -53.89 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.694 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.0 m -57.73 -38.64 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -59.12 -51.52 69.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -58.2 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -53.65 -54.46 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' CD2' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -49.15 -50.25 38.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.44 80.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -67.51 -24.36 65.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.5 121.24 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.91 118.4 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.655 HG13 HD11 ' B' ' 27' ' ' LEU . 28.4 mm -77.44 -51.19 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.629 HG21 HD11 ' A' ' 52' ' ' LEU . 6.5 t -174.99 -175.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -134.27 152.95 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.42 172.51 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.27 26.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -154.99 141.55 13.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -48.69 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -53.61 -43.16 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.78 -54.38 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.41 -56.79 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -58.33 -47.84 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.97 -47.17 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.729 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.5 m-85 -57.86 -58.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.731 HG11 HG12 ' B' ' 29' ' ' ILE . 31.0 m -61.78 -21.48 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.86 -59.65 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.99 -31.2 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -37.98 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.52 88.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -73.04 -12.85 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -90.11 -1.1 57.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.51 -4.37 54.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.694 HG11 ' CG1' ' A' ' 48' ' ' VAL . 9.9 t -108.18 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' HD22 ' B' ' 27' ' ' LEU . 48.9 mm -81.24 132.44 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.675 HD12 HG12 ' A' ' 37' ' ' VAL . 2.8 mm? -125.28 161.09 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -126.9 141.83 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.735 ' CD1' HG22 ' A' ' 37' ' ' VAL . 29.2 mm -119.27 143.7 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.19 103.69 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.17 127.69 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.756 HG12 HD12 ' A' ' 27' ' ' LEU . 5.0 t -99.5 121.79 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 139.61 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -107.85 155.43 20.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.54 -30.37 10.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.29 92.28 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.48 -42.94 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -33.12 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.11 -14.05 39.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.97 45.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.45 -46.34 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.45 -53.35 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.658 ' CG1' HG11 ' A' ' 25' ' ' VAL . 29.4 m -58.52 -38.3 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.59 -52.61 64.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.13 -57.5 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.27 -53.75 49.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.716 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -49.14 -49.37 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -85.92 -45.38 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.4 119.05 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.01 115.7 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' B' ' 39' ' ' LEU . 25.0 mm -72.68 -49.21 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.69 HG21 HD11 ' B' ' 52' ' ' LEU . 11.7 t -175.71 178.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -126.03 142.66 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.663 ' HE1' HD21 ' B' ' 56' ' ' LEU . 19.2 m-85 -133.07 166.07 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.8 41.93 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -171.48 141.92 1.35 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -43.62 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -49.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.64 -57.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -47.81 -55.07 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -57.71 -51.4 69.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.31 -48.57 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.669 ' CD1' HD12 ' B' ' 52' ' ' LEU . 4.5 m-85 -55.48 -58.64 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.611 HG11 HG12 ' A' ' 29' ' ' ILE . 30.5 m -62.53 -21.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.52 -60.41 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.5 p90 -63.68 -30.87 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.523 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.26 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -71.06 -12.64 61.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -91.92 -1.24 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.77 53.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.679 HG11 ' CG1' ' B' ' 48' ' ' VAL . 12.2 t -107.02 112.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.97 133.64 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' A' ' 17' ' ' VAL . 20.7 mt -126.23 161.72 27.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.63 145.82 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.744 ' CD1' HG22 ' B' ' 37' ' ' VAL . 42.3 mm -123.15 143.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.57 103.88 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.35 125.55 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.74 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.2 t -99.81 117.91 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.65 142.93 51.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD13 HD22 ' B' ' 27' ' ' LEU . 25.8 tp -117.13 152.42 34.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.54 -29.2 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.468 ' O ' HD21 ' A' ' 39' ' ' LEU . 11.5 t0 -87.75 86.2 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -49.74 -44.7 48.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.76 -32.82 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.39 -13.61 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.82 -35.17 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.33 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -54.55 45.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 23.8 m -55.95 -41.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.9 mtt180 -56.23 -49.48 74.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.3 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -53.83 -50.11 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.617 HD11 HG21 ' B' ' 5' ' ' THR . 8.3 tt -49.25 -55.71 11.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.72 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -71.38 -24.08 62.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.777 0.323 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.2 119.42 33.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.02 113.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.639 HG13 HD11 ' B' ' 27' ' ' LEU . 29.4 mm -69.53 -49.11 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.617 HG21 HD11 ' A' ' 52' ' ' LEU . 6.4 t -176.11 -173.61 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -133.92 148.87 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.534 ' CE2' HG21 ' A' ' 37' ' ' VAL . 33.1 m-85 -138.86 168.07 20.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.19 38.69 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -165.86 138.53 3.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -40.28 5.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -48.23 80.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.98 -51.38 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.64 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.36 -53.3 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.68 -47.79 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 2.5 m-30 -57.54 -61.61 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.771 HG11 HG12 ' B' ' 29' ' ' ILE . 31.0 m -57.8 -21.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -70.56 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.1 p90 -60.76 -31.12 70.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -38.42 61.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.7 93.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -76.72 -12.63 60.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -89.46 -0.44 57.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.63 -4.51 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.723 HG11 ' CG1' ' A' ' 48' ' ' VAL . 14.3 t -108.97 112.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.48 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.9 mm -81.09 129.64 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.639 HD11 HG13 ' B' ' 4' ' ' ILE . 0.9 OUTLIER -122.77 161.28 24.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.1 145.76 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.771 HG12 HG11 ' B' ' 17' ' ' VAL . 36.8 mm -125.52 143.4 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 103.25 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.903 0.382 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -86.64 126.55 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.744 HG22 ' CD1' ' A' ' 29' ' ' ILE . 11.6 t -99.83 118.66 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.59 141.22 51.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.482 ' HB3' HD11 ' A' ' 4' ' ' ILE . 38.3 tp -112.58 153.28 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.441 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.55 -27.74 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.426 ' O ' HD21 ' B' ' 39' ' ' LEU . 11.4 t0 -89.83 88.6 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.79 -44.05 48.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -55.04 -33.67 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.06 -13.9 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.36 -38.1 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.55 -47.72 74.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.559 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.82 -54.88 42.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.679 ' CG1' HG11 ' A' ' 25' ' ' VAL . 31.6 m -57.37 -38.78 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -58.24 -50.74 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.98 -58.45 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.36 -52.14 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.69 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -50.84 -52.84 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.95 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -73.87 -23.41 59.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -85.71 -36.21 20.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.663 HD21 ' HE1' ' A' ' 7' ' ' PHE . 10.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -119.86 122.42 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.18 128.13 35.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' B' ' 39' ' ' LEU . 33.2 mm -88.39 -44.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.823 HG21 HD11 ' B' ' 52' ' ' LEU . 8.0 t -175.65 -177.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -134.47 128.41 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.8 m-85 -120.21 173.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.12 31.37 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.69 144.0 12.91 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.65 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.86 -52.3 42.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.75 -55.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.55 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -55.06 -50.32 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.26 62.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.22 -62.22 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.666 HG11 HG12 ' A' ' 29' ' ' ILE . 33.0 m -56.62 -23.73 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -69.42 -59.47 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -63.66 -22.85 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.503 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -80.09 -38.63 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.83 -43.24 75.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -69.01 -12.75 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -94.31 -4.36 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.37 13.61 30.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.672 HG11 ' CG1' ' B' ' 48' ' ' VAL . 9.0 t -126.51 111.68 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.3 133.6 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' HB3' HG12 ' A' ' 17' ' ' VAL . 26.7 mt -127.76 162.12 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.408 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.76 147.45 49.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' B' ' 37' ' ' VAL . 38.4 mm -125.12 143.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.93 104.54 9.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -79.24 125.76 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.728 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.6 t -100.46 121.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.559 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 145.21 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.2 tp -117.82 153.13 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -101.72 -28.92 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' O ' HD21 ' A' ' 39' ' ' LEU . 8.4 t0 -88.9 86.49 6.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.63 -43.75 46.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -34.72 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -88.07 -13.5 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.23 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -66.48 -51.08 60.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -54.88 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.73 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.3 m -56.53 -39.68 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -51.96 67.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.07 -45.46 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.764 HD11 HG21 ' B' ' 5' ' ' THR . 10.5 tt -54.66 -53.46 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.89 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -75.47 -24.67 56.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.407 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.76 121.54 39.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.65 123.76 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 39' ' ' LEU . 31.2 mm -82.5 -45.63 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 52' ' ' LEU . 9.5 t -175.9 -177.39 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -134.26 127.38 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -118.81 175.77 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.41 33.79 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -161.22 143.44 9.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.61 2.207 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -51.25 -49.47 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.8 t -66.94 -56.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.95 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -57.14 -50.9 71.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.72 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.5 -61.06 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.704 HG11 HG12 ' B' ' 29' ' ' ILE . 29.5 m -58.91 -23.01 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.23 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -63.9 -23.35 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.48 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -78.34 -40.25 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -41.63 85.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -72.54 -12.76 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.45 -4.37 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.39 13.39 30.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.73 HG11 ' CG1' ' A' ' 48' ' ' VAL . 7.6 t -127.88 112.83 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -80.98 133.66 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' B' ' 17' ' ' VAL . 29.4 mt -128.04 161.7 28.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.415 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.45 146.83 50.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.728 ' CD1' HG22 ' A' ' 37' ' ' VAL . 39.8 mm -125.4 144.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.92 103.98 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -80.58 126.55 31.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 29' ' ' ILE . 9.9 t -99.86 123.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.562 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.77 144.34 50.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' ' 4' ' ' ILE . 46.3 tp -116.17 152.66 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.477 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -101.08 -29.11 12.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -91.35 87.78 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.71 -42.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.41 -34.52 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -89.23 -13.55 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -35.38 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.643 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.06 -52.83 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.672 ' CG1' HG11 ' A' ' 25' ' ' VAL . 23.6 m -59.2 -40.4 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -51.61 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -60.96 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.72 -45.03 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 5' ' ' THR . 9.9 tt -55.0 -57.81 10.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.76 -34.45 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -75.07 -25.78 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -87.2 -31.82 20.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.596 HD21 ' HE1' ' A' ' 7' ' ' PHE . 12.3 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.45 119.32 6.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.532 HG13 HD11 ' A' ' 27' ' ' LEU . 27.7 mm -78.43 -47.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.732 HG21 HD11 ' B' ' 52' ' ' LEU . 9.6 t -176.02 -177.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -134.14 132.99 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' B' ' 56' ' ' LEU . 24.6 m-85 -121.99 166.14 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.19 22.47 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -145.0 142.79 18.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -49.17 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.13 -53.08 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.05 -52.7 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.2 -46.33 68.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.35 -60.21 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.719 HG11 HG12 ' A' ' 29' ' ' ILE . 29.5 m -58.41 -21.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -72.62 -59.99 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -23.96 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.558 ' SD ' HG12 ' B' ' 48' ' ' VAL . 2.2 mmt -80.74 -41.17 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.05 94.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -71.94 -12.91 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -92.11 -1.73 57.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.09 -3.43 51.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.744 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.9 t -109.39 113.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.635 ' O ' HD22 ' A' ' 27' ' ' LEU . 50.4 mm -81.34 133.69 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.663 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.6 mm? -128.68 160.92 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.89 147.42 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.723 ' CD1' HG22 ' B' ' 37' ' ' VAL . 36.9 mm -125.31 144.26 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.98 103.48 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.88 0.372 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -85.22 127.36 34.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.744 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.7 t -99.82 120.48 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.45 144.75 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.8 tp -117.64 152.8 34.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -103.65 -27.47 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.5 t0 -89.4 88.96 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -49.34 -43.72 43.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -33.95 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 48' ' ' VAL . 2.6 mp0 -89.03 -13.96 37.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -27.14 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.8 -52.71 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.25 -35.68 72.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.742 ' CG1' HG11 ' B' ' 25' ' ' VAL . 35.0 m -73.76 -42.38 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 48' ' ' VAL . 2.4 mtt180 -57.97 -42.27 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.76 -58.76 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.34 -40.43 71.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.738 HD11 HG21 ' B' ' 5' ' ' THR . 10.3 tt -61.92 -51.03 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.32 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -81.83 -24.87 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 120.41 36.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 119.33 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.514 HD12 HG21 ' A' ' 48' ' ' VAL . 28.9 mm -78.56 -47.35 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.738 HG21 HD11 ' A' ' 52' ' ' LEU . 9.7 t -175.87 -177.96 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -134.41 127.25 31.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -115.9 163.66 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.27 25.79 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -148.08 140.63 14.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.26 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.08 -46.67 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -65.67 -53.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.42 -62.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.04 -47.99 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.35 -60.13 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.733 HG11 HG12 ' B' ' 29' ' ' ILE . 31.3 m -58.62 -22.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -72.28 -59.81 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -24.31 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.554 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.1 mmt -79.69 -42.15 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.09 96.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.09 -12.92 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.23 -1.68 56.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.17 -3.78 51.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.742 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.7 t -109.34 113.23 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.621 ' O ' HD22 ' B' ' 27' ' ' LEU . 51.3 mm -81.22 133.55 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.682 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.6 mm? -128.33 160.81 31.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.412 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.09 147.28 50.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.744 ' CD1' HG22 ' A' ' 37' ' ' VAL . 40.5 mm -125.33 144.75 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.7 103.73 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -84.12 126.08 32.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.723 HG22 ' CD1' ' A' ' 29' ' ' ILE . 12.3 t -99.71 120.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -128.65 144.9 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.487 HD21 ' O ' ' B' ' 41' ' ' ASP . 30.6 tp -117.82 152.67 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.403 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.14 -27.79 12.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.487 ' O ' HD21 ' B' ' 39' ' ' LEU . 17.2 t0 -88.99 88.89 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -49.42 -43.75 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -34.55 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.453 ' O ' HG22 ' B' ' 48' ' ' VAL . 2.6 mp0 -88.4 -13.91 39.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.93 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.84 -52.82 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.454 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.744 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.7 m -73.74 -42.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.459 ' N ' HG23 ' B' ' 48' ' ' VAL . 2.8 mtt180 -57.85 -41.65 82.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.41 -59.23 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -55.24 -38.99 69.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -63.45 -50.4 69.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.1 68.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -82.44 -26.84 32.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -85.51 -37.36 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.755 0.312 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.6 119.53 33.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.01 116.65 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' B' ' 39' ' ' LEU . 26.2 mm -73.03 -49.37 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.772 HG21 HD11 ' B' ' 52' ' ' LEU . 14.5 t -175.94 175.12 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -123.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.613 ' HE1' HD21 ' B' ' 56' ' ' LEU . 15.6 m-85 -119.0 175.34 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.45 35.01 3.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.96 143.9 5.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -46.67 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -50.62 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.38 -56.99 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.39 -57.43 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -58.69 -51.34 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.67 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.046 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.66 ' CD2' HD12 ' B' ' 52' ' ' LEU . 4.2 m-85 -57.35 -60.34 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.683 HG11 HG12 ' A' ' 29' ' ' ILE . 28.2 m -58.99 -21.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.48 -59.96 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.3 p90 -63.03 -29.78 71.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.516 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.8 OUTLIER -74.86 -38.78 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.08 85.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -71.13 -12.68 61.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -92.19 -1.1 57.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.83 -4.7 53.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' CG1' ' B' ' 48' ' ' VAL . 11.5 t -107.09 112.24 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.342 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.67 133.52 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 mt -126.94 160.55 30.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 147.01 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' B' ' 37' ' ' VAL . 39.5 mm -125.03 143.3 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.61 103.18 8.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -83.33 124.65 30.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' CD1' ' B' ' 29' ' ' ILE . 2.9 t -99.7 118.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -125.69 144.97 50.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 41' ' ' ASP . 25.9 tp -117.54 152.39 35.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -102.57 -27.71 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.472 ' O ' HD21 ' A' ' 39' ' ' LEU . 15.4 t0 -88.44 85.25 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -50.19 -44.01 52.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.88 -33.43 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -89.23 -13.44 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.02 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.4 -50.27 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -56.31 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.731 ' CG1' HG11 ' B' ' 25' ' ' VAL . 29.7 m -55.19 -37.26 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -60.03 -52.35 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.75 -54.98 40.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.13 -47.74 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.735 HD11 HG21 ' B' ' 5' ' ' THR . 0.6 OUTLIER -52.2 -52.22 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.48 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -69.06 -20.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.418 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.46 120.57 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 116.89 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 39' ' ' LEU . 22.9 mm -73.12 -50.44 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.735 HG21 HD11 ' A' ' 52' ' ' LEU . 13.6 t -174.87 174.52 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -124.78 134.43 52.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -122.26 174.24 7.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.39 35.07 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -163.88 142.46 6.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -45.62 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.93 -55.88 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.66 -56.02 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -59.45 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.86 -47.54 67.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.5 m-85 -57.99 -59.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.733 HG11 HG12 ' B' ' 29' ' ' ILE . 28.6 m -60.03 -21.86 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.64 -59.59 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -61.23 -31.08 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.73 -37.06 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.57 91.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -74.75 -12.76 60.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -90.12 -0.78 57.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 -4.68 54.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.731 HG11 ' CG1' ' A' ' 48' ' ' VAL . 13.5 t -107.89 112.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.105 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -80.93 133.59 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.68 161.57 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.97 146.55 50.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.733 HG12 HG11 ' B' ' 17' ' ' VAL . 37.0 mm -125.67 144.14 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.22 103.64 8.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -87.03 125.66 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.5 t -99.54 118.66 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.53 141.91 51.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.5 tp -113.54 152.99 29.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.436 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.69 -27.49 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.442 ' O ' HD21 ' B' ' 39' ' ' LEU . 16.2 t0 -89.72 88.15 7.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.85 -44.66 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.19 -32.36 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.477 ' HG2' HG22 ' A' ' 25' ' ' VAL . 2.0 tp60 -88.55 -14.25 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -39.13 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.84 -46.81 80.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.568 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.81 -55.47 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.682 ' CG1' HG11 ' A' ' 25' ' ' VAL . 31.1 m -56.66 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -59.52 -51.74 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.0 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -55.04 -50.4 69.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 5' ' ' THR . 0.4 OUTLIER -51.04 -51.4 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.92 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.59 -21.15 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -87.07 -41.5 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.613 HD21 ' HE1' ' A' ' 7' ' ' PHE . 9.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.48 119.14 32.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 116.93 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.514 HG13 HD11 ' A' ' 27' ' ' LEU . 24.8 mm -74.57 -51.83 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.632 HG21 HD11 ' B' ' 52' ' ' LEU . 7.1 t -176.22 -173.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -134.95 148.63 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -129.64 160.93 31.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.21 16.59 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -147.29 140.09 14.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -49.43 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -52.26 -47.72 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.75 -50.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -51.45 -54.86 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.06 -50.83 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.34 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' HZ ' HD22 ' B' ' 56' ' ' LEU . 3.2 m-85 -58.2 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.702 HG11 HG12 ' A' ' 29' ' ' ILE . 27.3 m -57.13 -22.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.89 -59.57 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -22.59 66.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.441 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -78.29 -39.84 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.65 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.56 -12.83 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -94.38 -4.1 49.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.34 12.09 34.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.648 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.0 t -124.95 111.54 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.1 mm -81.11 132.41 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.5 mm? -126.74 161.04 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.41 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.713 ' CD1' HG22 ' B' ' 37' ' ' VAL . 30.7 mm -118.46 143.26 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.03 103.41 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.05 128.93 35.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.731 HG22 ' CD1' ' B' ' 29' ' ' ILE . 14.2 t -99.39 121.17 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.84 143.29 50.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 41' ' ' ASP . 31.1 tp -115.85 153.01 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -102.89 -28.04 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.455 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.0 t0 -88.76 87.33 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -49.5 -44.01 45.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.32 -34.41 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.31 -13.76 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.02 48.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.61 -48.43 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.84 -53.66 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG1' HG11 ' B' ' 25' ' ' VAL . 28.7 m -57.93 -38.89 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.05 -52.24 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.45 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -54.59 -50.86 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.578 HD11 HG21 ' B' ' 5' ' ' THR . 0.7 OUTLIER -50.25 -55.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -65.75 -24.16 66.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.404 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 119.77 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 120.35 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.58 HG13 HD11 ' B' ' 27' ' ' LEU . 22.5 mm -78.62 -46.64 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.578 HG21 HD11 ' A' ' 52' ' ' LEU . 10.0 t -175.61 -177.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 65.5 p -134.41 128.24 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.26 161.33 19.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.24 29.33 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.32 140.04 13.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.727 2.284 . . . . 0.0 112.316 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -55.97 -45.01 79.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.51 -49.57 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -55.19 -49.2 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.91 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -61.7 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.666 HG11 HG12 ' B' ' 29' ' ' ILE . 28.1 m -57.09 -25.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.16 -58.95 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.54 -24.47 67.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.424 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.91 -38.33 45.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -68.98 -13.03 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.74 -4.7 49.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.2 14.1 29.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.685 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.1 t -128.0 112.42 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.62 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.2 mm -81.17 133.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.661 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -127.42 162.49 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 148.47 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.731 ' CD1' HG22 ' A' ' 37' ' ' VAL . 40.4 mm -125.28 144.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.29 103.78 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.84 126.92 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' A' ' 29' ' ' ILE . 3.1 t -99.68 121.43 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.99 138.56 52.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.401 HD12 ' H ' ' B' ' 40' ' ' ALA . 57.9 tp -107.98 155.0 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.401 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -105.53 -28.9 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.12 89.76 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.71 -43.25 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.66 -33.39 60.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.84 -13.68 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.29 -36.6 32.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.25 -47.58 73.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.639 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.39 -54.12 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.648 ' CG1' HG11 ' A' ' 25' ' ' VAL . 24.3 m -57.22 -39.4 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -58.36 -53.92 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.28 -57.95 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.26 -51.12 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.632 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -49.99 -54.85 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.54 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -64.12 -27.78 69.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.17 -35.36 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.597 HD22 ' HZ ' ' A' ' 16' ' ' PHE . 2.8 mm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -119.86 124.52 46.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.5 129.5 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.563 HD11 ' HB3' ' B' ' 39' ' ' LEU . 33.5 mm -91.94 -44.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.833 HG21 HD11 ' B' ' 52' ' ' LEU . 10.3 t -175.73 -179.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -134.5 123.24 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.622 ' HE1' HD21 ' B' ' 56' ' ' LEU . 22.3 m-85 -115.22 171.79 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.27 49.15 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -172.06 143.91 1.4 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -51.22 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.86 -56.0 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -48.29 -59.84 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -57.49 -52.02 67.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.33 -48.96 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.01 -62.32 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.708 HG11 HG12 ' A' ' 29' ' ' ILE . 32.6 m -56.74 -22.56 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.36 -59.75 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HA ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -65.01 -21.99 66.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.453 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -78.12 -42.68 31.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.77 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 19' ' ' TYR . 14.7 t -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -95.44 -4.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 14.71 27.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.688 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.2 t -127.92 112.2 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.581 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.0 mm -80.75 131.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 26' ' ' ILE . 3.8 mm? -124.19 160.39 27.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.94 141.06 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.708 HG12 HG11 ' A' ' 17' ' ' VAL . 36.6 mm -116.59 142.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.86 103.95 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -83.42 126.78 33.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' B' ' 29' ' ' ILE . 7.4 t -100.7 120.41 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.25 144.55 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.3 tp -117.26 153.17 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.72 -29.84 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' HD21 ' A' ' 39' ' ' LEU . 3.6 t70 -87.49 87.09 7.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -49.3 -45.06 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.97 -33.59 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -88.05 -13.56 41.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -35.02 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.1 -50.03 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -54.59 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.733 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.5 m -55.94 -40.5 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.407 ' N ' HG23 ' A' ' 48' ' ' VAL . 2.5 mtp180 -57.73 -50.88 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.99 -60.56 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.93 -48.99 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.78 HD11 HG21 ' B' ' 5' ' ' THR . 10.1 tt -50.74 -58.28 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -36.52 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -69.88 -26.5 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.96 122.17 40.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 121.47 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.9 mm -81.22 -46.31 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.78 HG21 HD11 ' A' ' 52' ' ' LEU . 10.0 t -176.05 -178.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -134.02 124.33 26.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -114.75 171.25 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.76 46.54 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -171.96 142.51 1.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -48.73 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.91 -48.45 64.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.435 HG12 ' HD2' ' B' ' 16' ' ' PHE . 45.0 t -66.36 -54.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.92 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.76 -52.37 65.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.44 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.435 ' HD2' HG12 ' B' ' 12' ' ' VAL . 2.4 m-85 -57.6 -62.05 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.72 HG11 HG12 ' B' ' 29' ' ' ILE . 32.7 m -57.88 -22.65 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.39 -60.32 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.02 -24.54 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.525 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -79.4 -38.93 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.05 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -74.13 -12.56 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -91.08 -3.87 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 10.24 39.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.733 HG11 ' CG1' ' A' ' 48' ' ' VAL . 11.1 t -125.24 112.8 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.58 133.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 17' ' ' VAL . 28.8 mt -128.02 161.24 29.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.46 147.01 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' A' ' 37' ' ' VAL . 38.3 mm -124.53 144.02 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.15 103.93 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.868 0.366 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -86.39 128.53 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 29' ' ' ILE . 10.5 t -101.76 123.17 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.7 141.27 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 4' ' ' ILE . 55.3 tp -108.93 154.79 21.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.431 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -101.62 -31.86 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.2 90.15 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -49.79 -42.47 46.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.77 -33.12 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.92 -13.95 37.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.9 -35.33 23.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.66 -47.04 73.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.6 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.89 -53.02 62.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.688 ' CG1' HG11 ' A' ' 25' ' ' VAL . 30.4 m -58.44 -38.48 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.27 -53.76 54.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -58.95 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.71 -45.89 67.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 5' ' ' THR . 3.7 tt -53.76 -56.86 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.62 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -73.2 -24.84 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -86.21 -37.31 18.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.622 HD21 ' HE1' ' A' ' 7' ' ' PHE . 11.2 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.792 0.33 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 tp -120.08 121.94 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.41 127.16 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' B' ' 39' ' ' LEU . 30.7 mm -86.31 -44.81 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.814 HG21 HD11 ' B' ' 52' ' ' LEU . 6.4 t -173.85 -177.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.28 125.2 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.615 ' CE1' HD21 ' B' ' 56' ' ' LEU . 21.2 m-85 -114.82 173.35 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 44.02 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.46 143.49 0.86 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.75 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -50.51 -54.12 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.56 -54.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' B' ' 35' ' ' SER . . . -47.77 -62.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -53.75 -43.73 69.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.86 -58.13 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' B' ' 52' ' ' LEU . 9.5 m-85 -50.31 -50.35 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 27' ' ' LEU . 73.9 t -66.68 -23.2 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.57 -59.95 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.1 p90 -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.527 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -71.77 -38.14 70.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.58 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -68.02 -12.68 61.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -92.41 -1.68 56.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 -4.36 53.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' CG1' ' B' ' 48' ' ' VAL . 10.5 t -108.2 112.04 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.328 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.36 132.38 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB2' HG13 ' A' ' 17' ' ' VAL . 27.1 mt -126.14 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.4 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -128.12 151.1 49.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.9 mm -125.97 144.05 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.84 103.74 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.61 125.78 30.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' B' ' 29' ' ' ILE . 14.9 t -98.36 122.08 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.87 142.93 50.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' B' ' 4' ' ' ILE . 29.4 tp -116.0 153.25 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -99.3 -31.61 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' HD21 ' A' ' 39' ' ' LEU . 40.0 t0 -87.48 86.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -49.97 -44.19 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.76 -32.19 59.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.06 -13.59 35.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.6 -35.86 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.41 -49.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.84 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.727 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.7 m -55.47 -39.62 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -58.28 -50.31 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.6 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -55.37 -46.65 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.798 HD11 HG21 ' B' ' 5' ' ' THR . 10.2 tt -51.55 -54.74 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.57 76.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -70.62 -24.5 62.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.06 123.18 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.73 124.15 18.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.622 HG13 HD11 ' B' ' 27' ' ' LEU . 30.4 mm -83.29 -47.45 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.798 HG21 HD11 ' A' ' 52' ' ' LEU . 5.9 t -171.19 -176.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.15 125.27 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.406 ' CE2' HG21 ' A' ' 37' ' ' VAL . 20.2 m-85 -114.63 176.03 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.28 48.67 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -176.47 143.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -51.79 -49.05 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.86 -53.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.533 ' HB1' HG21 ' B' ' 29' ' ' ILE . . . -48.84 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -55.96 -43.67 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.6 -58.98 5.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 8.6 m-85 -50.2 -49.98 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.711 HG21 HG12 ' B' ' 29' ' ' ILE . 76.0 t -66.58 -23.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -69.15 -59.61 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.54 -33.31 74.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.424 ' HG3' ' HB ' ' B' ' 25' ' ' VAL . 1.3 tpt -71.48 -39.17 71.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.72 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -71.42 -12.66 61.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -90.79 -1.03 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.49 54.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.727 HG11 ' CG1' ' A' ' 48' ' ' VAL . 10.3 t -109.19 113.03 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.457 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.9 mm -79.97 127.51 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' B' ' 17' ' ' VAL . 1.1 mm? -121.96 157.89 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.427 HG21 ' CH2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.64 150.73 49.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.722 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.4 mm -125.46 145.19 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.63 103.83 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.88 127.21 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 29' ' ' ILE . 5.4 t -99.25 125.59 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -132.2 142.88 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 4' ' ' ILE . 40.2 tp -114.56 152.42 31.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.484 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.23 -29.28 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.419 ' O ' HD21 ' B' ' 39' ' ' LEU . 44.8 t0 -91.14 88.28 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -49.7 -42.83 46.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -32.86 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.36 -13.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.06 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -65.61 -47.43 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.546 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.34 -54.85 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.682 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.9 m -56.47 -38.32 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -59.52 -51.01 71.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.96 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.15 -46.1 79.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.814 HD11 HG21 ' A' ' 5' ' ' THR . 9.7 tt -51.6 -54.37 28.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.6 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -68.14 -23.48 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -86.71 -44.85 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 7' ' ' PHE . 15.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.502 ' HE1' ' HB2' ' B' ' 40' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 3' ' ' MET . 0.9 OUTLIER -119.2 123.15 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . 0.427 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.31 125.95 25.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.57 ' HB ' HG23 ' B' ' 37' ' ' VAL . 12.0 mm -91.38 -48.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 52' ' ' LEU . 10.5 t -177.12 -176.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 p -135.02 149.03 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.53 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.9 m-85 -128.04 163.07 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.16 144.75 9.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -48.2 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.62 -50.23 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.09 -53.54 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.54 -56.58 9.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -59.0 -51.13 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -47.38 64.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' HD12 ' B' ' 52' ' ' LEU . 3.2 m-85 -58.34 -61.26 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.602 HG11 HG12 ' A' ' 29' ' ' ILE . 32.6 m -57.59 -21.9 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -70.49 -59.33 2.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -64.71 -22.67 67.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.536 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.1 OUTLIER -79.82 -41.33 26.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.06 82.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -69.48 -13.15 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -95.57 -4.29 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.1 16.62 22.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.674 HG11 ' CG1' ' B' ' 48' ' ' VAL . 14.2 t -128.36 111.41 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -81.66 133.55 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' HG12 ' A' ' 17' ' ' VAL . 22.1 mt -126.41 160.0 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 134.29 49.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.639 ' CD1' HG12 ' B' ' 37' ' ' VAL . 33.4 mm -108.51 143.32 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.64 102.83 8.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.2 125.72 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.652 HG22 ' CD1' ' B' ' 29' ' ' ILE . 2.5 t -100.46 119.88 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.7 140.36 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.8 tp -109.96 152.53 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -101.68 -28.22 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.7 t0 -89.61 87.28 6.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.53 -44.07 46.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -54.88 -33.54 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -13.59 40.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.95 -36.48 38.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -65.3 -49.14 70.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -56.11 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.727 ' CG1' HG11 ' B' ' 25' ' ' VAL . 26.6 m -54.84 -39.35 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.61 -52.61 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -58.33 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.24 -47.66 71.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD11 HG21 ' B' ' 5' ' ' THR . 8.1 tt -51.65 -57.8 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.35 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.23 -21.98 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.56 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.762 0.315 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.47 121.67 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.13 121.59 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 39' ' ' LEU . 26.7 mm -80.2 -47.35 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.812 HG21 HD11 ' A' ' 52' ' ' LEU . 12.6 t -176.07 176.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -127.32 130.66 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 37' ' ' VAL . 23.7 m-85 -118.19 171.26 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.13 38.65 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.34 143.03 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -48.36 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.406 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.84 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 82.3 t -68.27 -55.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.4 -58.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -57.62 -49.82 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.82 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.72 HG11 HG12 ' B' ' 29' ' ' ILE . 35.1 m -58.68 -23.98 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.06 -59.88 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -79.08 -39.93 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.31 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -72.45 -12.61 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -93.26 -4.38 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.25 14.48 28.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.727 HG11 ' CG1' ' A' ' 48' ' ' VAL . 10.7 t -128.09 112.42 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.87 133.68 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.469 ' HB3' HG12 ' B' ' 17' ' ' VAL . 32.3 mt -127.27 161.0 29.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 138.44 53.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.72 HG12 HG11 ' B' ' 17' ' ' VAL . 42.5 mm -116.2 143.38 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 103.04 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -80.55 122.12 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -99.02 131.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.04 149.78 52.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.464 HD21 ' O ' ' B' ' 41' ' ' ASP . 34.8 tp -113.14 153.94 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HB2' ' HE1' ' A' ' 1' ' ' MET . . . -100.87 -31.49 11.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.464 ' O ' HD21 ' B' ' 39' ' ' LEU . 15.5 t0 -88.29 90.65 8.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -48.99 -45.57 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.66 -31.68 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.41 -14.1 41.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.03 -37.42 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.83 -44.36 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.567 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.86 -54.89 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.674 ' CG1' HG11 ' A' ' 25' ' ' VAL . 17.4 m -55.46 -40.24 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -59.45 -53.48 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.73 -60.0 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.37 -45.24 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -53.05 -57.71 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.42 -39.69 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.28 -37.55 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.53 HD21 ' HE1' ' A' ' 7' ' ' PHE . 83.7 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.404 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.1 tp -119.97 123.47 43.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.15 128.48 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' B' ' 39' ' ' LEU . 31.8 mm -88.82 -45.27 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 HD11 ' B' ' 52' ' ' LEU . 11.6 t -175.71 179.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -131.8 139.64 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.577 ' CE1' HD21 ' B' ' 56' ' ' LEU . 24.8 m-85 -133.75 161.54 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.05 32.2 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -156.48 141.0 11.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.737 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -51.02 -46.05 61.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.04 -55.53 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.55 -59.98 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -56.19 -45.75 79.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.91 79.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' B' ' 52' ' ' LEU . 4.4 m-85 -60.21 -60.63 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG11 HG12 ' A' ' 29' ' ' ILE . 35.3 m -58.98 -23.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.02 -59.74 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -25.22 68.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.536 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.2 mmt -76.86 -43.47 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.08 95.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -70.46 -12.78 61.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -96.49 -3.61 42.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.72 16.67 23.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG21 ' HD2' ' B' ' 47' ' ' ARG . 57.5 t -127.84 112.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -82.29 133.17 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' A' ' 17' ' ' VAL . 24.7 mt -130.26 162.34 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 146.78 50.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.742 ' CD1' HG22 ' B' ' 37' ' ' VAL . 40.6 mm -124.94 144.1 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.98 103.93 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -86.47 128.55 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.748 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.2 t -99.66 122.42 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.73 148.84 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' B' ' 4' ' ' ILE . 43.3 tp -122.29 152.24 40.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.87 -31.97 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -88.01 88.52 7.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 49.4 mt-10 -48.87 -41.12 32.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -53.35 -37.53 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -87.18 -14.14 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -53.13 -26.25 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -78.39 -53.32 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.799 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.19 -35.39 71.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.74 ' CG1' HG11 ' B' ' 25' ' ' VAL . 34.6 m -74.05 -40.67 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.5 mtt180 -59.33 -43.01 92.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.87 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.08 -43.65 78.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -60.63 -51.51 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.14 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -77.51 -26.2 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.9 tp -119.77 123.58 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.18 128.46 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.574 HG13 HD11 ' B' ' 27' ' ' LEU . 30.7 mm -89.61 -45.02 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.547 HG21 HD11 ' A' ' 52' ' ' LEU . 10.5 t -175.75 -179.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -133.12 138.97 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -132.8 161.19 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.94 35.27 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -157.37 140.49 10.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.5 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -52.54 -46.28 66.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.83 -54.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -60.25 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -57.05 -44.85 83.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.1 78.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.615 ' CD1' HD12 ' A' ' 52' ' ' LEU . 4.5 m-85 -58.84 -57.59 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.685 HG11 HG12 ' B' ' 29' ' ' ILE . 27.4 m -61.48 -23.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.71 -60.02 2.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.41 ' HA ' HG22 ' B' ' 22' ' ' THR . 0.4 OUTLIER -63.99 -25.59 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.514 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.3 mmt -74.71 -44.94 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.78 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.41 HG22 ' HA ' ' B' ' 19' ' ' TYR . 14.7 t -69.81 -12.79 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.53 -3.73 42.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.64 16.96 22.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.799 HG21 ' HD2' ' A' ' 47' ' ' ARG . 59.8 t -128.33 112.07 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.458 ' O ' HD22 ' B' ' 27' ' ' LEU . 48.8 mm -83.14 125.99 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.678 ' HB3' HG12 ' B' ' 17' ' ' VAL . 0.7 OUTLIER -122.29 163.25 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.424 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.21 147.0 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.748 ' CD1' HG22 ' A' ' 37' ' ' VAL . 39.2 mm -124.74 144.68 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.08 103.69 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.38 127.31 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.742 HG22 ' CD1' ' A' ' 29' ' ' ILE . 7.5 t -99.35 122.97 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.68 146.41 52.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 4' ' ' ILE . 42.4 tp -119.5 152.7 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -100.07 -31.69 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -88.37 88.33 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -48.88 -41.36 33.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.0 m -53.36 -37.06 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.426 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.2 OUTLIER -87.95 -13.68 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.405 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -53.52 -26.21 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -78.3 -53.26 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.818 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -57.89 -35.38 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.75 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.4 m -74.33 -40.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.431 ' N ' HG23 ' B' ' 48' ' ' VAL . 1.4 mtt180 -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.44 -55.68 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -56.29 -42.79 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -61.96 -51.04 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.74 -32.83 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -78.02 -28.5 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.72 -35.86 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.577 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.7 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.775 0.321 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.63 122.35 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 119.84 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.56 HD12 HG21 ' B' ' 48' ' ' VAL . 30.7 mm -79.03 -47.0 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.781 HG21 HD11 ' B' ' 52' ' ' LEU . 10.6 t -175.82 -179.34 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.35 126.62 31.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' B' ' 56' ' ' LEU . 26.0 m-85 -114.88 159.13 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.99 18.9 19.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.39 142.6 17.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -51.02 -50.57 58.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.97 -51.8 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -51.43 -63.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -53.9 -43.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -55.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -52.11 -47.6 65.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.632 HG21 HG12 ' A' ' 29' ' ' ILE . 71.7 t -66.23 -27.9 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.14 -60.32 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -26.26 68.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.48 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.3 mmt -76.19 -38.84 56.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.51 78.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -69.34 -13.04 62.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -93.35 -4.35 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 13.8 30.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.758 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.2 t -128.22 112.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 111.101 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.29 133.14 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.522 ' CB ' HG22 ' A' ' 17' ' ' VAL . 30.4 mt -128.0 162.47 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.05 150.77 50.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.743 ' CD1' HG22 ' B' ' 37' ' ' VAL . 43.9 mm -125.61 145.41 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.99 104.73 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -95.45 127.85 41.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' B' ' 29' ' ' ILE . 6.1 t -99.01 121.18 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.79 144.36 51.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.543 HD13 HD23 ' B' ' 27' ' ' LEU . 27.2 tp -117.87 152.86 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.2 -29.35 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.457 ' O ' HD21 ' A' ' 39' ' ' LEU . 54.3 t0 -86.85 86.91 7.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -49.79 -44.71 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -54.82 -33.35 61.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -13.45 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.27 -34.24 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.82 -50.64 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -54.27 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.747 ' CG1' HG11 ' B' ' 25' ' ' VAL . 31.4 m -56.28 -41.47 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.8 -51.36 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.53 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -52.29 -48.8 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.794 HD11 HG21 ' B' ' 5' ' ' THR . 10.4 tt -51.56 -52.51 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.89 72.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -25.53 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.11 122.59 41.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 120.71 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.0 mm -79.16 -47.09 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.794 HG21 HD11 ' A' ' 52' ' ' LEU . 11.1 t -175.99 -179.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.18 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.407 ' CE2' HG21 ' A' ' 37' ' ' VAL . 27.0 m-85 -114.89 163.38 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.14 29.08 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.11 140.98 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -53.65 -48.24 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.63 -50.37 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.77 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -54.27 -46.56 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -53.31 55.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.79 -51.5 55.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.671 HG21 HG12 ' B' ' 29' ' ' ILE . 39.9 t -62.51 -29.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.34 -59.51 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -60.76 -27.8 68.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.514 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.23 -38.84 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.02 82.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -69.12 -13.0 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -94.06 -4.11 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.02 13.16 32.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.747 HG11 ' CG1' ' A' ' 48' ' ' VAL . 3.9 t -128.42 112.56 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -82.81 133.19 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.582 ' HB2' HG22 ' B' ' 17' ' ' VAL . 29.8 mt -126.73 163.76 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 149.95 50.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.713 ' CD1' HG22 ' A' ' 37' ' ' VAL . 42.2 mm -125.58 144.99 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.07 104.75 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.851 0.358 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -91.19 128.18 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.743 HG22 ' CD1' ' A' ' 29' ' ' ILE . 11.6 t -98.3 121.81 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.12 144.27 51.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.546 ' HB3' HD11 ' A' ' 4' ' ' ILE . 32.7 tp -117.79 153.63 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.422 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -104.07 -27.84 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.477 ' O ' HD21 ' B' ' 39' ' ' LEU . 55.6 t0 -89.25 88.88 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -49.24 -43.67 42.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.3 m -54.22 -34.9 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.452 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.1 OUTLIER -87.95 -13.52 41.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.92 -27.92 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.34 -51.05 10.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.72 -35.91 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.3 m -73.45 -41.0 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.435 ' N ' HG23 ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.27 -43.16 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.39 -56.57 9.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -57.46 -41.37 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.781 HD11 HG21 ' A' ' 5' ' ' THR . 10.3 tt -59.14 -53.12 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.85 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -75.25 -25.93 58.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -86.31 -41.28 14.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 7' ' ' PHE . 12.7 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.3 123.13 42.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 126.35 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.712 HG13 HD11 ' A' ' 27' ' ' LEU . 23.4 mm -87.32 -46.07 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.614 HG21 HD11 ' B' ' 52' ' ' LEU . 9.0 t -175.7 -177.3 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 p -135.27 132.3 37.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' B' ' 56' ' ' LEU . 33.9 m-85 -122.0 171.39 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.16 44.63 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -175.29 142.09 0.68 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -45.9 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -50.74 -53.2 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG11 ' CE1' ' A' ' 7' ' ' PHE . 61.9 t -60.96 -53.67 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -62.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -51.91 -47.87 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -59.1 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.625 ' CD2' HD12 ' B' ' 52' ' ' LEU . 9.2 m-85 -50.01 -54.03 22.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.709 HG22 ' HB3' ' A' ' 27' ' ' LEU . 74.0 t -61.31 -23.3 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -69.3 -59.74 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 20' ' ' MET . 0.6 OUTLIER -63.89 -24.08 67.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.472 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -76.92 -41.42 43.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.41 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 t -67.48 -12.83 61.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -94.95 -2.44 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 1.12 51.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.713 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.8 t -112.75 112.09 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.34 125.34 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.712 HD11 HG13 ' A' ' 4' ' ' ILE . 1.4 mm? -119.74 162.81 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 150.34 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.706 HG12 HG21 ' A' ' 17' ' ' VAL . 47.0 mm -126.19 145.32 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.79 105.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.899 0.381 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -80.53 128.83 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.738 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.2 t -99.22 123.09 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.6 145.96 52.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HB3' HD11 ' B' ' 4' ' ' ILE . 38.0 tp -118.66 153.0 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.05 -31.53 11.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' HD21 ' A' ' 39' ' ' LEU . 60.2 t0 -89.27 88.7 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -48.7 -39.11 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.5 -36.78 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -85.05 -14.71 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.86 -40.19 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -62.72 -52.14 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -59.79 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.77 ' CG1' HG11 ' B' ' 25' ' ' VAL . 33.6 m -50.81 -37.32 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -61.37 -54.35 44.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -55.11 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.72 -48.55 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.555 HD11 HG21 ' B' ' 5' ' ' THR . 0.7 OUTLIER -52.09 -50.42 61.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.66 90.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -71.47 -20.05 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.82 124.75 46.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.57 129.19 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.652 HG13 HD11 ' B' ' 27' ' ' LEU . 28.6 mm -90.51 -44.03 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.555 HG21 HD11 ' A' ' 52' ' ' LEU . 10.4 t -176.12 -178.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 19.4 p -132.77 133.52 43.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -128.12 167.24 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.9 51.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.51 141.38 0.75 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.68 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -50.94 -48.59 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.37 -54.32 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' B' ' 29' ' ' ILE . . . -50.78 -62.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -53.94 -51.73 62.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.04 -49.84 49.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -56.93 -50.99 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -61.2 -29.93 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.99 -59.98 2.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.489 ' HA ' ' HE3' ' B' ' 20' ' ' MET . 1.6 mmt -72.32 -44.06 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.35 80.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -63.07 -16.26 59.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -90.19 -2.91 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.1 54.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.77 HG11 ' CG1' ' A' ' 48' ' ' VAL . 8.5 t -110.93 114.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.7 124.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.685 HD12 ' CG1' ' A' ' 37' ' ' VAL . 1.4 mm? -118.66 161.93 19.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -129.71 150.53 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.738 ' CD1' HG22 ' A' ' 37' ' ' VAL . 29.8 mm -125.35 144.18 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.17 104.94 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -81.26 126.83 32.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.694 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.4 t -99.33 124.2 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.82 146.17 52.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.602 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.9 tp -117.57 153.45 33.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.464 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -102.5 -28.74 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.467 ' O ' HD21 ' B' ' 39' ' ' LEU . 60.5 t0 -90.61 88.95 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.78 -40.02 27.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.57 -36.62 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -85.41 -14.41 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.08 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.57 -47.99 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.713 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.8 m -53.82 -37.22 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -61.39 -55.57 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -55.69 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -55.4 -48.16 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.73 -49.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -67.09 -22.82 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -87.66 -34.65 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 tp -119.75 122.94 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.57 125.3 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' B' ' 39' ' ' LEU . 27.8 mm -84.88 -47.45 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.623 HG21 HD11 ' B' ' 52' ' ' LEU . 11.7 t -173.91 179.34 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -130.96 127.95 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.544 ' CE1' HD21 ' B' ' 56' ' ' LEU . 15.7 m-85 -118.03 174.51 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.85 47.96 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -175.94 140.68 0.57 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -40.55 5.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -56.26 -49.76 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 t -65.76 -53.11 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.427 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.21 -62.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -55.19 -48.92 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.5 -58.21 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.646 ' CD2' HD12 ' B' ' 52' ' ' LEU . 6.6 m-85 -50.8 -50.77 55.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 27' ' ' LEU . 90.6 t -64.72 -21.86 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.94 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -61.99 -31.67 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.8 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.543 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -72.9 -40.71 65.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -72.28 -12.63 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -91.88 -0.78 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.0 -4.29 52.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.632 HG11 ' CG1' ' B' ' 48' ' ' VAL . 10.5 t -110.59 112.24 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.14 132.66 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.694 ' HB2' HG13 ' A' ' 17' ' ' VAL . 32.9 mt -125.28 163.44 22.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.49 150.96 51.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.73 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.8 mm -125.55 144.18 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.33 103.77 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.04 128.06 35.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.6 t -99.56 120.32 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.93 142.68 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 4' ' ' ILE . 31.8 tp -115.0 152.93 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -101.01 -29.42 12.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' HD21 ' A' ' 39' ' ' LEU . 13.9 t0 -88.6 87.02 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -49.34 -43.63 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -34.61 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -87.43 -13.85 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.42 -36.5 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.86 -49.35 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' CD ' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.88 -53.31 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.722 ' CG1' HG11 ' B' ' 25' ' ' VAL . 29.5 m -58.95 -38.49 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.02 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.68 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.08 -47.98 74.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.732 HD11 HG21 ' B' ' 5' ' ' THR . 0.4 OUTLIER -53.11 -53.59 48.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.59 71.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -72.17 -24.09 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.44 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -119.59 119.88 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 119.37 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 39' ' ' LEU . 27.9 mm -76.56 -47.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.732 HG21 HD11 ' A' ' 52' ' ' LEU . 13.3 t -174.33 176.0 2.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -127.19 126.72 43.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -120.06 171.19 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.82 47.68 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -174.12 142.16 0.85 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -45.53 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -52.48 -50.1 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -67.53 -57.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.418 ' O ' HG22 ' B' ' 17' ' ' VAL . . . -47.56 -58.02 4.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.68 -45.05 90.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.8 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.712 ' CD2' HD12 ' A' ' 52' ' ' LEU . 5.0 m-85 -59.65 -58.16 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.61 HG12 ' CB ' ' B' ' 27' ' ' LEU . 26.9 m -62.85 -21.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.76 -59.85 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.1 p90 -62.78 -31.77 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.439 ' HE1' ' HA ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.5 -37.74 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.39 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -73.75 -12.8 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -90.35 -1.08 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.68 -4.36 53.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.722 HG11 ' CG1' ' A' ' 48' ' ' VAL . 16.5 t -108.35 112.38 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.31 133.4 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.61 ' CB ' HG12 ' B' ' 17' ' ' VAL . 40.3 mt -126.7 162.74 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.15 148.02 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.711 ' CD1' HG22 ' A' ' 37' ' ' VAL . 43.0 mm -125.59 144.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.16 103.9 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.09 129.33 35.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.73 HG22 ' CD1' ' A' ' 29' ' ' ILE . 8.9 t -99.03 122.57 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.44 143.83 51.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 4' ' ' ILE . 42.7 tp -115.89 153.5 31.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.462 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.43 -30.87 11.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.41 ' O ' HD21 ' B' ' 39' ' ' LEU . 14.7 t0 -90.45 89.25 7.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.21 -42.5 40.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -33.65 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -88.27 -13.95 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -38.73 37.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.08 -45.58 80.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.564 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.7 -53.88 52.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.632 ' CG1' HG11 ' A' ' 25' ' ' VAL . 26.9 m -57.82 -38.29 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -52.39 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.05 14.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.92 -44.71 78.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.646 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -54.13 -50.8 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.38 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -70.44 -20.41 62.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -87.68 -36.79 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.544 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 122.44 41.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.37 122.29 12.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.612 HG13 HD11 ' A' ' 27' ' ' LEU . 26.5 mm -83.11 -45.79 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.555 HG21 HD11 ' B' ' 52' ' ' LEU . 11.3 t -175.73 -179.28 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -134.02 135.02 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' B' ' 56' ' ' LEU . 37.2 m-85 -127.81 170.35 12.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.02 40.86 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -165.83 140.69 3.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.34 3.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -54.66 -50.7 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 7' ' ' PHE . 84.0 t -63.86 -55.64 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -48.64 -62.63 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -54.63 -43.22 72.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -57.38 12.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.755 ' CD1' HD12 ' B' ' 52' ' ' LEU . 9.0 m-85 -51.32 -47.55 62.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HG12 ' A' ' 29' ' ' ILE . 100.0 t -67.12 -26.91 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -68.15 -61.02 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.428 ' HA ' HG22 ' A' ' 22' ' ' THR . 0.3 OUTLIER -64.2 -26.78 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.509 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.6 mmt -73.49 -41.94 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -42.67 87.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.428 HG22 ' HA ' ' A' ' 19' ' ' TYR . 12.9 t -71.18 -12.58 61.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -92.78 -4.12 53.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.21 12.24 34.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.754 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.4 t -127.71 113.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' HD22 ' A' ' 27' ' ' LEU . 50.2 mm -80.69 129.03 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 4' ' ' ILE . 2.5 mm? -123.69 161.19 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.51 150.96 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 17' ' ' VAL . 43.8 mm -125.82 145.83 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.59 104.31 8.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.923 0.392 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.29 126.12 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' B' ' 29' ' ' ILE . 10.7 t -99.64 120.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.98 145.81 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' B' ' 4' ' ' ILE . 31.6 tp -118.81 152.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -103.27 -27.62 12.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.475 ' O ' HD21 ' A' ' 39' ' ' LEU . 15.4 t0 -88.89 88.23 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.24 -43.7 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -53.55 -35.13 60.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 48' ' ' VAL . 2.2 mp0 -88.21 -14.14 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.16 -26.22 16.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -78.73 -54.61 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -56.4 -35.94 68.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' B' ' 25' ' ' VAL . 35.4 m -74.54 -40.94 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -58.2 -41.99 85.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.65 -57.02 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.47 -44.17 76.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.616 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -61.13 -50.94 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.8 66.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -80.05 -26.76 39.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.401 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.03 121.56 39.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 120.75 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 48' ' ' VAL . 30.6 mm -79.07 -46.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.492 HG21 ' CZ ' ' B' ' 7' ' ' PHE . 13.8 t -176.09 176.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -128.23 130.96 48.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.492 ' CZ ' HG21 ' B' ' 5' ' ' THR . 22.8 m-85 -124.33 166.6 15.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.99 36.29 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.47 141.58 8.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -47.85 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -48.77 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.92 -55.61 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.43 ' O ' HG22 ' B' ' 17' ' ' VAL . . . -49.31 -60.05 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -56.91 -44.12 82.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.8 83.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.616 ' CD1' HD12 ' A' ' 52' ' ' LEU . 4.2 m-85 -60.33 -59.8 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.701 HG11 HG12 ' B' ' 29' ' ' ILE . 24.3 m -60.04 -24.3 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -68.88 -60.63 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.524 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.2 mmt -76.88 -40.85 46.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.49 85.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -72.7 -12.55 61.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -93.25 -4.27 52.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 13.95 29.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.758 HG11 ' CG1' ' A' ' 48' ' ' VAL . 5.3 t -128.11 112.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.2 133.59 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.59 ' HB3' HG12 ' B' ' 17' ' ' VAL . 26.0 mt -128.56 162.86 26.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.14 146.57 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' A' ' 37' ' ' VAL . 38.1 mm -125.13 144.09 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.7 103.67 8.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.96 127.73 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 29' ' ' ILE . 7.1 t -98.77 123.0 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.76 146.48 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.0 tp -118.7 153.49 34.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.429 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.9 -27.92 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.477 ' O ' HD21 ' B' ' 39' ' ' LEU . 15.6 t0 -89.89 89.58 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -49.72 -44.32 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -53.9 -32.44 53.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -89.78 -14.61 34.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.17 -28.84 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -77.72 -51.29 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.02 -35.61 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.754 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.0 m -74.9 -39.17 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.409 ' N ' HG23 ' B' ' 48' ' ' VAL . 1.1 mtt180 -59.21 -45.81 90.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.48 -54.15 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.5 -46.62 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.755 HD12 ' CD1' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -59.4 -49.85 76.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -34.2 68.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -74.41 -31.73 62.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -80.04 -32.98 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 7' ' ' PHE . 6.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 tp -119.92 123.95 44.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 130.37 46.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.4 mm -92.59 -45.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.769 HG21 HD11 ' B' ' 52' ' ' LEU . 6.2 t -175.12 -174.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -134.59 127.26 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.44 ' HE1' HD21 ' B' ' 56' ' ' LEU . 17.1 m-85 -115.14 162.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.5 39.32 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -166.6 141.19 3.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 -51.79 -51.05 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.55 -51.22 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . -49.09 -62.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -53.5 -47.32 69.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -58.73 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -50.26 -52.54 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.583 HG21 HG12 ' A' ' 29' ' ' ILE . 89.3 t -62.18 -24.32 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.08 -59.4 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -63.96 -25.55 68.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.544 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -75.73 -41.4 53.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.63 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 19' ' ' TYR . 12.4 t -67.85 -12.77 61.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -94.25 -3.66 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.05 7.01 47.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.663 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.2 t -121.08 113.16 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.1 mm -80.75 128.64 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' HG22 ' A' ' 17' ' ' VAL . 4.4 mm? -120.44 162.35 19.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.37 150.8 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' B' ' 37' ' ' VAL . 37.9 mm -125.08 142.91 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.81 103.29 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.56 126.28 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.3 t -99.34 119.24 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.6 143.73 51.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.45 HD21 ' O ' ' A' ' 41' ' ' ASP . 29.5 tp -116.63 151.88 35.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -100.96 -29.51 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.45 ' O ' HD21 ' A' ' 39' ' ' LEU . 22.4 t0 -87.56 86.41 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -49.63 -44.7 47.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -34.34 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.98 -13.8 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.41 -35.56 39.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -66.22 -48.79 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.65 -54.44 47.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.711 ' CG1' HG11 ' B' ' 25' ' ' VAL . 25.4 m -56.51 -39.33 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -58.74 -52.14 66.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -57.4 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.56 -48.3 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.783 HD11 HG21 ' B' ' 5' ' ' THR . 10.4 tt -50.65 -52.39 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.55 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -68.23 -25.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.74 119.57 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.14 117.85 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.512 HG13 HD11 ' B' ' 27' ' ' LEU . 26.9 mm -75.26 -48.55 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.783 HG21 HD11 ' A' ' 52' ' ' LEU . 7.3 t -176.2 -175.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -134.7 141.52 46.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -131.29 161.57 32.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.45 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.96 139.33 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -53.03 -46.34 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.43 -52.82 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.39 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -56.66 -44.35 81.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.78 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.423 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 3.1 m-85 -58.57 -58.28 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.689 HG11 HG12 ' B' ' 29' ' ' ILE . 30.8 m -59.58 -25.73 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.84 -59.9 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.3 OUTLIER -63.72 -25.06 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.456 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -75.37 -40.31 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.63 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.422 HG22 ' HA ' ' B' ' 19' ' ' TYR . 12.7 t -70.18 -12.78 61.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -93.27 -4.18 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.14 11.99 35.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.711 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.6 t -126.48 112.74 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.549 ' C ' HD22 ' B' ' 27' ' ' LEU . 49.3 mm -80.52 133.39 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.654 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -126.04 161.45 27.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.01 146.1 50.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' A' ' 37' ' ' VAL . 42.7 mm -125.21 143.3 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.01 103.12 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.94 0.4 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.46 130.39 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.1 t -98.85 127.32 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.98 141.38 47.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.544 ' HB3' HD11 ' A' ' 4' ' ' ILE . 49.4 tp -109.57 153.95 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.425 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.7 -32.23 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.413 ' O ' HD21 ' B' ' 39' ' ' LEU . 19.2 t0 -90.93 89.71 7.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.16 -40.29 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -33.94 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -89.28 -14.35 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.9 -38.29 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -67.7 -46.33 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.572 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.31 -52.79 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.663 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.7 m -57.41 -39.07 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.33 -51.96 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.33 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.94 -48.81 75.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.769 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -50.52 -51.11 50.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.46 88.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -67.31 -25.5 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -87.38 -43.83 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' B' ' 52' ' ' LEU . 7.2 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.66 118.68 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.81 118.11 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' B' ' 48' ' ' VAL . 24.2 mm -75.48 -50.02 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.517 HG21 HD11 ' B' ' 52' ' ' LEU . 14.8 t -176.37 173.53 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p -122.13 143.79 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' HE1' HD21 ' B' ' 56' ' ' LEU . 31.0 m-85 -133.68 152.22 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.93 28.49 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -152.23 138.91 12.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -49.13 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.755 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -54.61 -62.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -53.33 -43.22 67.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.26 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.09 -62.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 13' ' ' ALA . 1.5 p -55.65 -26.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -71.15 -60.16 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -31.51 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.528 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -75.6 -38.74 58.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.81 95.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -77.8 -12.41 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -90.09 0.36 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 -4.81 54.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.677 HG11 ' CG1' ' B' ' 48' ' ' VAL . 13.9 t -108.86 112.79 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.56 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 17' ' ' VAL . 49.7 mt -127.29 161.74 27.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.3 OUTLIER -127.12 144.49 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.64 ' CD1' HG22 ' B' ' 37' ' ' VAL . 29.6 mm -117.91 142.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.34 103.19 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.893 0.377 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.33 126.8 35.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.7 HG22 ' CD1' ' B' ' 29' ' ' ILE . 3.5 t -99.28 119.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.83 143.0 51.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.6 tp -115.74 150.62 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.45 -30.49 11.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.069 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' O ' HD21 ' A' ' 39' ' ' LEU . 59.0 t0 -87.05 89.38 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.52 -43.86 35.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -33.74 66.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.599 ' NE2' HG22 ' B' ' 25' ' ' VAL . 23.4 mt-30 -84.78 -14.89 46.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.92 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.01 -50.47 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.74 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.698 ' CG1' HG11 ' B' ' 25' ' ' VAL . 27.1 m -54.84 -37.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -59.57 -53.02 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 -56.64 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.91 -48.88 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.718 HD12 ' CD2' ' B' ' 16' ' ' PHE . 0.7 OUTLIER -50.76 -50.53 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.18 93.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -68.45 -19.86 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 119.69 33.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.79 119.04 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.8 mm -75.79 -48.65 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.713 HG21 HD11 ' A' ' 52' ' ' LEU . 13.0 t -175.81 174.65 2.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 p -124.26 132.85 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -125.55 161.98 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.7 35.6 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -159.77 139.5 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -46.45 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.37 -49.1 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.95 -53.3 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.48 -56.92 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.64 -51.07 71.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.84 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.718 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.2 m-85 -58.2 -61.12 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.698 HG11 HG12 ' B' ' 29' ' ' ILE . 25.7 m -58.13 -21.51 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -71.08 -59.91 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.511 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -60.84 -30.8 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.508 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.07 -37.18 55.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.78 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -76.92 -12.6 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -90.08 -0.6 57.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.57 -4.17 53.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.698 HG11 ' CG1' ' A' ' 48' ' ' VAL . 21.4 t -108.6 112.35 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.3 133.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.3 mt -126.68 161.4 28.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.69 146.69 50.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.7 ' CD1' HG22 ' A' ' 37' ' ' VAL . 41.6 mm -125.36 143.55 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 103.29 8.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.917 0.389 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.4 127.69 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.9 t -100.6 119.0 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.95 139.02 53.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.479 HD21 ' O ' ' B' ' 41' ' ' ASP . 44.0 tp -108.2 153.28 23.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.432 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.42 -29.45 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.479 ' O ' HD21 ' B' ' 39' ' ' LEU . 47.7 t0 -90.53 92.17 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -48.63 -43.62 36.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -33.65 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.499 ' NE2' HG22 ' A' ' 25' ' ' VAL . 12.7 mt-30 -84.06 -14.98 49.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.35 -38.68 63.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -64.87 -46.74 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.648 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.09 -56.72 18.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.677 ' CG1' HG11 ' A' ' 25' ' ' VAL . 24.2 m -55.41 -40.53 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -57.22 -57.09 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -61.25 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -50.2 -47.19 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.517 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -53.0 -50.8 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.22 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.53 -17.97 55.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -87.5 -37.12 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 7' ' ' PHE . 12.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.779 0.323 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 tp -119.91 121.79 39.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.61 126.99 29.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.535 HD12 HG21 ' B' ' 48' ' ' VAL . 33.3 mm -86.03 -48.37 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.753 HG21 HD11 ' B' ' 52' ' ' LEU . 6.8 t -176.45 -174.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -135.56 149.12 49.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.21 170.02 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.11 17.46 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -146.32 141.03 15.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.37 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -46.73 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.31 -55.65 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.86 -61.13 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.88 -49.5 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.45 -45.79 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.54 -62.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.652 HG11 HG12 ' A' ' 29' ' ' ILE . 27.3 m -57.2 -23.02 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.51 -59.62 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.72 67.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.553 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.4 mmt -76.19 -45.63 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.34 -12.67 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -96.75 -3.49 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.77 16.91 22.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.729 HG11 ' CG1' ' B' ' 48' ' ' VAL . 68.1 t -127.86 112.14 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -82.65 133.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.532 ' CB ' HG12 ' A' ' 17' ' ' VAL . 29.6 mt -131.89 161.83 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.98 147.21 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.733 ' CD1' HG22 ' B' ' 37' ' ' VAL . 36.7 mm -124.93 144.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.61 103.91 8.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.879 0.371 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -82.21 128.32 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' B' ' 29' ' ' ILE . 13.3 t -99.3 123.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.581 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.57 145.99 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' B' ' 4' ' ' ILE . 54.9 tp -116.69 154.97 29.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.8 -30.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 91.48 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 37.1 mt-10 -49.0 -41.36 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -53.71 -36.98 62.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.45 -14.19 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -52.89 -27.25 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.75 -52.63 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -59.01 -35.47 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.69 HG12 HG11 ' B' ' 25' ' ' VAL . 31.8 m -73.9 -40.66 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.439 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.5 mtt180 -59.59 -43.24 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.45 -57.36 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -56.08 -39.66 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 HG21 ' B' ' 5' ' ' THR . 10.5 tt -62.35 -51.76 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.93 -30.84 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -78.39 -29.19 47.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.786 0.326 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tt -119.95 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 122.98 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.636 HG13 HD11 ' B' ' 27' ' ' LEU . 29.0 mm -83.82 -46.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.752 HG21 HD11 ' A' ' 52' ' ' LEU . 7.5 t -175.4 -177.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -134.6 128.12 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -117.79 170.49 8.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.8 34.43 4.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.82 141.22 8.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -47.75 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.0 64.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -68.35 -55.21 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.8 -58.84 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.26 -47.67 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.45 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.76 -60.03 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.703 HG12 ' HB3' ' B' ' 27' ' ' LEU . 32.8 m -59.31 -23.81 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.46 -59.63 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -26.6 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.516 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -74.44 -45.3 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.01 98.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -69.07 -12.57 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -98.04 -3.68 37.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.69 17.26 21.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.69 HG11 HG12 ' A' ' 48' ' ' VAL . 64.0 t -127.52 112.07 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.52 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.0 mm -84.73 127.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.703 ' HB3' HG12 ' B' ' 17' ' ' VAL . 1.1 mm? -123.62 163.03 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.08 148.38 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.667 ' CD1' HG22 ' A' ' 37' ' ' VAL . 43.2 mm -124.76 145.94 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.67 103.46 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.859 0.362 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -85.68 125.45 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.733 HG22 ' CD1' ' A' ' 29' ' ' ILE . 5.2 t -99.36 123.38 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.79 144.86 51.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 4' ' ' ILE . 56.8 tp -115.9 154.23 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -102.62 -30.85 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.28 90.32 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -49.49 -39.93 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -53.52 -36.43 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.413 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -87.6 -14.35 40.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.419 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -52.01 -26.62 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.57 -53.7 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.533 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -57.91 -35.45 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.729 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.0 m -73.84 -41.35 53.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.448 ' N ' HG23 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -58.56 -43.0 89.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.49 -56.88 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.79 -38.65 72.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.753 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -62.81 -52.44 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.24 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -78.8 -28.44 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -82.33 -37.27 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.54 HD12 HD23 ' B' ' 52' ' ' LEU . 3.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.54 119.35 32.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.86 116.59 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.8 mm -73.97 -48.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 52' ' ' LEU . 11.2 t -174.03 -179.91 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -131.16 130.47 43.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.628 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.1 m-85 -120.03 168.18 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.79 35.44 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -163.57 143.44 6.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -50.89 -52.0 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG22 ' O ' ' B' ' 62' ' ' LEU . 94.3 t -61.23 -56.49 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.77 -59.19 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -56.12 -52.96 62.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.78 61.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' CD2' HD12 ' B' ' 52' ' ' LEU . 2.9 m-85 -57.86 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.631 HG11 HG12 ' A' ' 29' ' ' ILE . 35.0 m -57.34 -22.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -69.74 -59.28 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.46 -22.63 67.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.502 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -80.55 -38.37 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -42.25 74.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -70.29 -12.5 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -94.92 -4.27 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 14.63 27.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.729 HG21 ' HD2' ' B' ' 47' ' ' ARG . 18.0 t -126.4 111.38 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.25 133.31 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HB3' HG12 ' A' ' 17' ' ' VAL . 32.7 mt -128.28 162.3 27.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 146.32 50.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.74 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.0 mm -123.94 142.77 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.08 103.5 8.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.64 101.28 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -56.24 147.64 20.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.55 109.01 4.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -151.35 126.58 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 m -109.6 102.85 11.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.89 126.22 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.707 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.2 t -99.48 118.66 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.88 143.57 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.4 tp -116.35 152.32 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -102.06 -28.25 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' O ' HD21 ' A' ' 39' ' ' LEU . 41.9 t0 -87.81 87.9 7.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -48.68 -45.08 38.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -34.67 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -87.24 -13.53 43.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -55.38 -24.61 30.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -78.82 -58.37 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.78 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -54.82 -35.82 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 32.8 m -73.29 -40.93 57.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.3 mtp180 -58.13 -42.66 86.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -56.94 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.06 -44.1 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.614 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -60.54 -51.55 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -33.04 66.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -78.43 -26.75 46.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.738 ' CD2' HD23 ' A' ' 62' ' ' LEU . 8.4 t80 -81.66 -38.69 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' B' ' 7' ' ' PHE . 6.8 mt -56.15 -40.49 73.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -77.81 -2.07 34.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -113.64 72.82 1.99 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.672 0.749 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 95.97 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.42 -48.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.49 -54.88 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.738 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.4 pp -50.18 -30.8 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.669 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.829 0.347 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.43 120.86 37.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 116.39 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.545 HD12 HG21 ' A' ' 48' ' ' VAL . 27.9 mm -73.02 -48.88 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.516 HG21 HD11 ' A' ' 52' ' ' LEU . 14.6 t -175.73 166.14 3.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p -115.75 132.26 56.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.3 m-85 -123.9 166.66 15.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.29 41.83 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -167.82 141.34 2.78 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.74 1.11 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -47.65 65.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 62' ' ' LEU . 91.2 t -67.55 -56.12 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -58.39 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -57.66 -49.56 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -45.21 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.614 ' CD1' HD12 ' A' ' 52' ' ' LEU . 2.9 m-85 -59.4 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.706 HG11 HG12 ' B' ' 29' ' ' ILE . 28.1 m -58.57 -22.34 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.7 -60.06 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -24.2 67.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.453 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.9 mmt -77.63 -43.52 31.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.88 95.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.31 -12.7 61.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -95.23 -4.0 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 16.38 23.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.78 HG21 ' HD2' ' A' ' 47' ' ' ARG . 44.1 t -128.21 112.46 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.188 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.5 mm -81.68 133.22 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.547 ' CB ' HG12 ' B' ' 17' ' ' VAL . 37.7 mt -130.46 162.42 29.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.409 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 145.89 50.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.707 ' CD1' HG22 ' A' ' 37' ' ' VAL . 44.3 mm -124.92 143.36 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.61 103.63 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.81 111.61 23.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -68.96 156.47 38.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.41 111.86 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -157.11 131.01 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 19.8 m -110.61 101.32 9.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.53 127.41 34.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.74 HG22 ' CD1' ' A' ' 29' ' ' ILE . 9.9 t -99.7 119.51 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.94 141.26 51.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 4' ' ' ILE . 43.9 tp -112.68 153.32 27.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.437 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.26 -28.23 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.411 ' O ' HD21 ' B' ' 39' ' ' LEU . 40.5 t0 -90.63 88.97 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -49.54 -43.6 45.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -33.59 61.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.42 -13.82 39.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.48 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -68.24 -48.15 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.729 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.56 -51.84 68.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.705 ' CG1' HG11 ' A' ' 25' ' ' VAL . 23.6 m -60.18 -39.76 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.67 -51.74 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -59.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -51.79 -45.71 63.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -55.38 -56.56 18.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -76.25 -23.95 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.755 ' CD2' HD23 ' B' ' 62' ' ' LEU . 5.6 t80 -85.77 -37.17 19.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.628 HD21 ' HE1' ' A' ' 7' ' ' PHE . 14.0 mt -56.74 -37.78 71.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -78.31 -2.38 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -114.1 71.98 2.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 95.48 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.52 -50.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.47 -59.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.8 pp -48.19 -37.0 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.643 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.82 118.92 31.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.9 115.72 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 27' ' ' LEU . 25.8 mm -73.21 -47.23 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.711 HG21 HD11 ' B' ' 52' ' ' LEU . 9.8 t -175.46 -177.86 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -133.99 126.27 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.652 ' HE1' HD21 ' B' ' 56' ' ' LEU . 20.7 m-85 -117.06 166.27 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.09 50.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -175.62 143.01 0.68 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.331 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -51.13 -48.42 61.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 62' ' ' LEU . 79.3 t -64.62 -55.32 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.9 -60.19 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.73 -47.6 59.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.458 ' CD2' HD12 ' B' ' 52' ' ' LEU . 2.7 m-85 -57.89 -62.36 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.698 HG11 HG12 ' A' ' 29' ' ' ILE . 35.2 m -56.87 -22.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.05 -59.28 3.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.51 -22.47 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.442 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -79.83 -41.03 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.8 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.03 -12.81 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -95.12 -3.22 48.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.97 6.83 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.644 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.7 t -118.67 111.73 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.614 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.4 mm -81.0 132.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD22 ' O ' ' A' ' 26' ' ' ILE . 4.4 mm? -126.56 162.06 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 145.83 50.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' B' ' 37' ' ' VAL . 38.2 mm -123.48 143.07 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.06 103.01 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.98 125.35 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -135.26 88.49 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -77.19 151.87 35.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -134.52 -176.47 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 m -160.54 96.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -84.21 123.6 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.745 HG22 ' CD1' ' B' ' 29' ' ' ILE . 11.5 t -99.84 117.25 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.14 142.68 51.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 41' ' ' ASP . 28.7 tp -114.66 153.49 30.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -102.61 -28.67 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.466 ' O ' HD21 ' A' ' 39' ' ' LEU . 13.3 t0 -88.3 86.77 7.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.44 -44.45 45.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -33.85 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.98 -13.66 41.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.86 -35.32 44.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -66.66 -49.02 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.27 -54.94 41.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.0 m -55.64 -40.47 60.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -57.7 -52.96 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -52.33 -46.69 66.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.788 HD11 HG21 ' B' ' 5' ' ' THR . 8.4 tt -52.53 -57.68 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.49 63.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -73.69 -22.97 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.719 ' CD2' HD23 ' A' ' 62' ' ' LEU . 5.3 t80 -86.45 -38.22 17.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD21 ' HE1' ' B' ' 7' ' ' PHE . 15.0 mt -56.79 -37.63 71.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -78.16 -2.62 38.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -114.99 70.83 2.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 89.67 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.17 -54.16 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.73 -54.71 3.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.719 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.4 pp -50.18 -31.21 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.678 ' N ' HD12 ' A' ' 62' ' ' LEU . 2.3 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.41 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.78 119.2 32.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.43 114.48 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.427 ' CD1' HG21 ' A' ' 48' ' ' VAL . 22.2 mm -71.49 -49.07 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.788 HG21 HD11 ' A' ' 52' ' ' LEU . 12.8 t -175.96 177.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -127.84 125.07 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.623 ' HE1' HD21 ' A' ' 56' ' ' LEU . 25.2 m-85 -114.8 161.3 18.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.93 52.59 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.72 141.29 0.44 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -51.86 -47.06 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 62' ' ' LEU . 84.8 t -67.57 -56.03 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -58.77 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -57.04 -50.9 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.87 -46.31 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -58.67 -62.06 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.697 HG11 HG12 ' B' ' 29' ' ' ILE . 35.9 m -58.05 -22.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.15 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -64.0 -22.34 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.487 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -80.33 -39.94 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.62 84.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -72.87 -12.76 61.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -92.55 -3.84 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.06 11.92 35.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.723 HG11 ' CG1' ' A' ' 48' ' ' VAL . 13.5 t -125.45 112.44 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.088 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.56 133.6 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.484 ' HB3' HG12 ' B' ' 17' ' ' VAL . 29.3 mt -128.73 161.06 30.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.72 144.53 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.745 ' CD1' HG22 ' A' ' 37' ' ' VAL . 41.8 mm -122.14 143.62 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.03 109.28 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.97 134.54 35.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -119.58 95.06 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -85.71 140.64 30.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -152.25 166.62 31.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -160.84 100.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.815 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.76 126.3 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 29' ' ' ILE . 14.4 t -99.99 118.7 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.562 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.74 140.74 51.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 4' ' ' ILE . 37.9 tp -112.45 153.1 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.44 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -102.5 -28.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.87 87.45 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.49 -44.3 45.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.02 -33.69 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -88.12 -13.64 40.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -36.82 40.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -65.78 -46.41 78.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.609 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.57 -54.44 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.644 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.8 m -57.26 -38.71 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -59.52 -52.99 63.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.22 -58.25 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.96 -43.92 70.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.711 HD11 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -55.1 -55.93 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.98 68.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.66 -23.28 59.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.761 ' CD2' HD23 ' B' ' 62' ' ' LEU . 4.4 t80 -85.58 -37.24 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.652 HD21 ' HE1' ' A' ' 7' ' ' PHE . 13.2 mt -56.18 -38.97 71.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -78.43 -2.41 38.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -114.38 71.85 2.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.433 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.7 Cg_endo -69.77 92.15 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.652 2.235 . . . . 0.0 112.386 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.94 -61.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.37 -55.11 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.761 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.2 pp -48.89 -32.3 8.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.673 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.91 123.18 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.53 122.79 13.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.1 mm -84.72 -44.68 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.688 HG21 HD11 ' B' ' 52' ' ' LEU . 9.2 t -175.8 -175.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 p -134.46 132.64 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.3 m-85 -119.11 166.76 12.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.73 25.81 7.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -155.74 146.72 16.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -51.19 -49.98 59.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.32 -51.96 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' B' ' 35' ' ' SER . . . -49.96 -62.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -56.32 -49.61 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.8 -59.09 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CD2' HD12 ' B' ' 52' ' ' LEU . 5.6 m-85 -50.02 -54.56 19.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.601 HG21 HG12 ' A' ' 29' ' ' ILE . 93.8 t -60.73 -23.01 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.03 -59.56 2.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -64.96 -23.69 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.525 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -77.9 -42.65 32.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.76 -42.03 86.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 t -68.06 -12.5 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -94.92 -1.58 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.17 52.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.676 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.3 t -108.4 112.76 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.102 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.7 mm -81.05 126.73 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 20' ' ' MET . 4.5 mm? -120.5 161.84 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.72 154.2 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.626 ' CD1' HG22 ' B' ' 37' ' ' VAL . 41.8 mm -125.15 145.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.26 104.55 9.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.44 96.9 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -51.14 164.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -156.39 65.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -108.43 97.18 6.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.73 100.23 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.32 126.77 32.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.75 HG22 ' CD1' ' B' ' 29' ' ' ILE . 13.0 t -101.36 119.83 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.4 145.75 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 41' ' ' ASP . 26.7 tp -118.94 151.93 37.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.96 -28.91 12.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.468 ' O ' HD21 ' A' ' 39' ' ' LEU . 60.5 t0 -87.29 86.11 7.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.83 -43.99 49.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 m -54.88 -33.79 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.798 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.76 -13.52 39.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.44 -35.3 38.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.86 -50.13 63.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.2 -54.97 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.686 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.5 m -55.82 -41.5 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.8 mtt180 -56.34 -50.74 70.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.99 -61.22 2.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -51.72 -45.79 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.693 HD11 HG21 ' B' ' 5' ' ' THR . 9.9 tt -55.29 -51.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.52 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -79.14 -23.35 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.679 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.0 t80 -86.53 -41.04 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.594 HD21 ' CE1' ' B' ' 7' ' ' PHE . 13.1 mt -58.62 -35.33 72.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -77.22 -2.62 35.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -116.92 67.9 4.26 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 88.05 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.46 -43.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.92 -57.94 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.2 pp -50.67 -27.72 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.611 ' N ' HD12 ' A' ' 62' ' ' LEU . 1.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.32 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.04 121.13 38.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.413 ' HE1' ' HB3' ' B' ' 6' ' ' SER . 0.1 OUTLIER -57.95 119.32 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.528 HG13 HD11 ' B' ' 27' ' ' LEU . 26.8 mm -78.28 -45.42 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.693 HG21 HD11 ' A' ' 52' ' ' LEU . 11.1 t -176.59 -178.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 3' ' ' MET . 1.1 p -133.95 129.8 36.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.594 ' CE1' HD21 ' A' ' 56' ' ' LEU . 26.4 m-85 -120.25 173.39 7.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.827 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.09 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -151.57 140.9 14.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -43.56 2.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -51.35 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 62' ' ' LEU . 38.1 t -65.83 -52.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.99 -61.97 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -54.66 -53.46 54.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.86 -41.79 58.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.474 ' HD2' HG12 ' B' ' 12' ' ' VAL . 1.4 m-85 -61.49 -62.52 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.732 HG12 ' HB3' ' B' ' 27' ' ' LEU . 17.1 m -57.29 -24.72 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.143 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.01 -59.57 2.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -23.21 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.5 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -77.2 -43.74 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.17 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.7 t -67.62 -12.67 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -95.69 -1.67 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 -3.65 51.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.686 HG11 ' CG1' ' A' ' 48' ' ' VAL . 5.0 t -109.03 112.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.594 ' O ' HD22 ' B' ' 27' ' ' LEU . 50.4 mm -81.57 133.35 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.732 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -126.98 161.73 27.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.414 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.37 147.15 50.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.75 ' CD1' HG22 ' A' ' 37' ' ' VAL . 34.5 mm -124.87 144.64 34.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.35 103.0 7.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.41 94.43 8.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -52.03 165.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -160.68 76.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -112.75 97.53 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.49 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -73.77 93.04 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 129.42 34.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.626 HG22 ' CD1' ' A' ' 29' ' ' ILE . 8.2 t -97.92 125.22 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.596 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.56 142.33 49.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.605 ' HB3' HD11 ' A' ' 4' ' ' ILE . 45.6 tp -114.22 154.12 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.77 -30.72 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -88.63 89.74 8.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -49.85 -44.01 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m -54.82 -32.52 60.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.24 -13.84 37.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.47 -36.77 35.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.42 -46.1 77.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.655 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.03 -54.06 49.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.676 ' CG1' HG11 ' A' ' 25' ' ' VAL . 28.0 m -57.11 -38.56 61.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -60.21 -53.73 54.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.416 ' HB1' HH11 ' B' ' 54' ' ' ARG . . . -59.01 -57.36 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -54.12 -47.96 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -51.94 -54.83 25.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.416 HH11 ' HB1' ' B' ' 50' ' ' ALA . 1.1 mtt180 -72.04 -24.28 61.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.757 ' CD2' HD23 ' B' ' 62' ' ' LEU . 5.5 t80 -86.64 -34.65 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.529 HD21 ' HE1' ' A' ' 7' ' ' PHE . 29.0 mt -55.93 -38.1 69.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.17 -2.22 36.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -115.16 70.27 2.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.722 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.07 -53.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.66 -54.17 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.757 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.4 pp -48.9 -43.15 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.641 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 120.02 34.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.67 121.76 11.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.603 HG13 HD11 ' A' ' 27' ' ' LEU . 23.6 mm -81.43 -50.76 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.657 HG21 HD11 ' B' ' 52' ' ' LEU . 6.7 t -175.56 -173.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -135.05 152.73 51.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -136.08 165.7 25.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.53 25.25 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -154.9 141.0 12.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.78 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -51.55 -45.79 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.06 -54.26 33.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.17 -55.93 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -56.99 -49.15 76.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.46 -47.54 69.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.716 ' CD2' HD12 ' B' ' 52' ' ' LEU . 4.3 m-85 -57.65 -58.54 7.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.729 HG11 HG12 ' A' ' 29' ' ' ILE . 32.5 m -61.1 -21.18 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.04 -59.62 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.2 p90 -63.74 -30.52 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.41 ' HG3' ' HB ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -74.74 -38.29 62.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.02 84.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -70.96 -12.66 61.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -91.8 -1.34 57.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.71 -4.63 53.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.658 HG11 ' CG1' ' B' ' 48' ' ' VAL . 6.6 t -107.0 111.83 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.788 0.328 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.563 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.0 mm -81.53 131.21 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.756 HD12 HG12 ' B' ' 37' ' ' VAL . 3.1 mm? -124.37 160.54 27.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.72 140.23 52.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.735 ' CD1' HG22 ' B' ' 37' ' ' VAL . 30.4 mm -116.04 143.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.14 103.48 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.12 125.14 33.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -81.83 -173.1 4.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.21 105.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -131.19 -173.29 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.0 m -163.91 102.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.27 127.33 34.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.735 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.8 t -99.12 120.55 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.42 140.64 51.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.558 ' HB3' HD11 ' B' ' 4' ' ' ILE . 47.7 tp -111.14 154.84 23.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.16 -30.78 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' O ' HD21 ' A' ' 39' ' ' LEU . 18.4 t0 -89.67 89.95 8.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -49.4 -43.67 44.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -33.81 63.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.51 -14.0 41.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.85 -36.14 47.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.25 -48.06 71.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.483 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -59.03 -53.89 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.694 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.0 m -57.73 -38.64 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -59.12 -51.52 69.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -58.2 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -53.65 -54.46 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' CD2' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -49.15 -50.25 38.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.44 80.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -67.51 -24.36 65.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.615 ' CD2' HD23 ' A' ' 62' ' ' LEU . 2.1 t80 -85.95 -45.42 11.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD21 ' CE1' ' B' ' 7' ' ' PHE . 6.3 mt -57.75 -34.39 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -78.05 -2.04 35.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -113.11 73.48 1.7 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 78.08 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.301 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.35 -40.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.79 -67.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.615 HD23 ' CD2' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -51.81 102.77 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.5 121.24 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.91 118.4 5.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.655 HG13 HD11 ' B' ' 27' ' ' LEU . 28.4 mm -77.44 -51.19 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.629 HG21 HD11 ' A' ' 52' ' ' LEU . 6.5 t -174.99 -175.34 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -134.27 152.95 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 56' ' ' LEU . 79.7 m-85 -136.42 172.51 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.27 26.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -154.99 141.55 13.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -48.69 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -53.61 -43.16 68.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.78 -54.38 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.41 -56.79 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -58.33 -47.84 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.97 -47.17 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.729 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.5 m-85 -57.86 -58.26 9.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.731 HG11 HG12 ' B' ' 29' ' ' ILE . 31.0 m -61.78 -21.48 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.86 -59.65 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.99 -31.2 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -37.98 62.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.52 88.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -73.04 -12.85 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -90.11 -1.1 57.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.51 -4.37 54.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.694 HG11 ' CG1' ' A' ' 48' ' ' VAL . 9.9 t -108.18 112.34 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.595 ' O ' HD22 ' B' ' 27' ' ' LEU . 48.9 mm -81.24 132.44 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.675 HD12 HG12 ' A' ' 37' ' ' VAL . 2.8 mm? -125.28 161.09 27.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.3 OUTLIER -126.9 141.83 51.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.735 ' CD1' HG22 ' A' ' 37' ' ' VAL . 29.2 mm -119.27 143.7 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.19 103.69 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.02 126.95 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -85.01 -172.01 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.53 108.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -130.93 -175.2 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 52.4 m -163.02 101.33 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.17 127.69 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.756 HG12 HD12 ' A' ' 27' ' ' LEU . 5.0 t -99.5 121.79 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 139.61 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.8 tp -107.85 155.43 20.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.54 -30.37 10.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -91.29 92.28 8.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.48 -42.94 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -33.12 62.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.11 -14.05 39.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.97 45.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.45 -46.34 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.45 -53.35 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.658 ' CG1' HG11 ' A' ' 25' ' ' VAL . 29.4 m -58.52 -38.3 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -59.59 -52.61 64.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.13 -57.5 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.27 -53.75 49.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.716 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -49.14 -49.37 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -67.36 -24.59 65.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.57 ' CD2' HD23 ' B' ' 62' ' ' LEU . 2.1 t80 -85.92 -45.38 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -57.47 -34.37 68.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.43 -1.46 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -112.94 73.74 1.63 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.626 0.726 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 78.49 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.15 -41.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -67.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' B' ' 55' ' ' PHE . 0.8 OUTLIER -54.63 105.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.4 119.05 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.01 115.7 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' B' ' 39' ' ' LEU . 25.0 mm -72.68 -49.21 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.69 HG21 HD11 ' B' ' 52' ' ' LEU . 11.7 t -175.71 178.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -126.03 142.66 51.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.663 ' HE1' HD21 ' B' ' 56' ' ' LEU . 19.2 m-85 -133.07 166.07 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.8 41.93 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -171.48 141.92 1.35 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -43.62 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -49.83 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' B' ' 62' ' ' LEU . 94.6 t -64.64 -57.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -47.81 -55.07 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -57.71 -51.4 69.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.31 -48.57 68.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.669 ' CD1' HD12 ' B' ' 52' ' ' LEU . 4.5 m-85 -55.48 -58.64 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.611 HG11 HG12 ' A' ' 29' ' ' ILE . 30.5 m -62.53 -21.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.52 -60.41 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.5 p90 -63.68 -30.87 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.523 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.26 84.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -71.06 -12.64 61.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -91.92 -1.24 57.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.77 53.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.679 HG11 ' CG1' ' B' ' 48' ' ' VAL . 12.2 t -107.02 112.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.97 133.64 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' HG12 ' A' ' 17' ' ' VAL . 20.7 mt -126.23 161.72 27.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.63 145.82 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.744 ' CD1' HG22 ' B' ' 37' ' ' VAL . 42.3 mm -123.15 143.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.57 103.88 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.48 110.82 18.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -60.74 -178.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -173.77 128.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -166.37 -177.63 4.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m -159.44 102.48 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.35 125.55 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.74 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.2 t -99.81 117.91 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -126.65 142.93 51.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD13 HD22 ' B' ' 27' ' ' LEU . 25.8 tp -117.13 152.42 34.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.54 -29.2 12.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.468 ' O ' HD21 ' A' ' 39' ' ' LEU . 11.5 t0 -87.75 86.2 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -49.74 -44.7 48.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.76 -32.82 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.39 -13.61 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.82 -35.17 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -67.33 -50.3 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -54.55 45.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' CG1' HG11 ' B' ' 25' ' ' VAL . 23.8 m -55.95 -41.97 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.9 mtt180 -56.23 -49.48 74.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.3 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -53.83 -50.11 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.617 HD11 HG21 ' B' ' 5' ' ' THR . 8.3 tt -49.25 -55.71 11.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.72 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -71.38 -24.08 62.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.487 ' CD1' HD23 ' A' ' 62' ' ' LEU . 2.2 t80 -88.48 -39.72 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD11 ' HE1' ' B' ' 7' ' ' PHE . 7.2 mt -57.69 -32.61 67.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -77.98 -0.76 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -112.63 73.87 1.54 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.614 0.721 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.2 -70.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -47.43 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 63' ' ' GLU . 1.5 pp -50.28 -42.46 52.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.594 ' N ' HD12 ' A' ' 62' ' ' LEU . 2.5 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.777 0.323 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.2 119.42 33.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.02 113.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.639 HG13 HD11 ' B' ' 27' ' ' LEU . 29.4 mm -69.53 -49.11 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.617 HG21 HD11 ' A' ' 52' ' ' LEU . 6.4 t -176.11 -173.61 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -133.92 148.87 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.534 ' CE2' HG21 ' A' ' 37' ' ' VAL . 33.1 m-85 -138.86 168.07 20.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.19 38.69 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -165.86 138.53 3.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -40.28 5.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -48.23 80.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.98 -51.38 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.64 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.36 -53.3 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.68 -47.79 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 2.5 m-30 -57.54 -61.61 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.771 HG11 HG12 ' B' ' 29' ' ' ILE . 31.0 m -57.8 -21.3 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -70.56 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.1 p90 -60.76 -31.12 70.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -38.42 61.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.07 -39.7 93.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -76.72 -12.63 60.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -89.46 -0.44 57.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.63 -4.51 53.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.723 HG11 ' CG1' ' A' ' 48' ' ' VAL . 14.3 t -108.97 112.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.48 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.9 mm -81.09 129.64 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.639 HD11 HG13 ' B' ' 4' ' ' ILE . 0.9 OUTLIER -122.77 161.28 24.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.1 145.76 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.771 HG12 HG11 ' B' ' 17' ' ' VAL . 36.8 mm -125.52 143.4 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 103.25 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.63 108.27 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -57.43 177.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -173.33 130.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -163.3 -178.25 5.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -161.16 99.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -86.64 126.55 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.744 HG22 ' CD1' ' A' ' 29' ' ' ILE . 11.6 t -99.83 118.66 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.59 141.22 51.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.482 ' HB3' HD11 ' A' ' 4' ' ' ILE . 38.3 tp -112.58 153.28 27.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.441 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.55 -27.74 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.426 ' O ' HD21 ' B' ' 39' ' ' LEU . 11.4 t0 -89.83 88.6 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -49.79 -44.05 48.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -55.04 -33.67 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.06 -13.9 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.36 -38.1 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.55 -47.72 74.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.559 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -58.82 -54.88 42.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.679 ' CG1' HG11 ' A' ' 25' ' ' VAL . 31.6 m -57.37 -38.78 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -58.24 -50.74 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.98 -58.45 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.36 -52.14 60.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.69 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -50.84 -52.84 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.95 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -73.87 -23.41 59.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.751 ' CD2' HD23 ' B' ' 62' ' ' LEU . 6.5 t80 -85.71 -36.21 20.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.663 HD21 ' HE1' ' A' ' 7' ' ' PHE . 10.2 mt -56.84 -38.13 72.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -78.54 -2.52 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -113.45 73.45 1.97 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 92.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.82 -61.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.2 -57.23 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.8 pp -48.66 -37.22 17.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.643 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 tp -119.86 122.42 41.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.18 128.13 35.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' B' ' 39' ' ' LEU . 33.2 mm -88.39 -44.53 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.823 HG21 HD11 ' B' ' 52' ' ' LEU . 8.0 t -175.65 -177.9 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -134.47 128.41 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.8 m-85 -120.21 173.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.12 31.37 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.69 144.0 12.91 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.65 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.86 -52.3 42.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 62' ' ' LEU . 87.1 t -61.75 -55.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.55 -62.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -55.06 -50.32 69.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.26 62.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.22 -62.22 1.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG11 HG12 ' A' ' 29' ' ' ILE . 33.0 m -56.62 -23.73 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -69.42 -59.47 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -63.66 -22.85 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.503 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -80.09 -38.63 31.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.83 -43.24 75.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -69.01 -12.75 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -94.31 -4.36 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.37 13.61 30.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.442 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.672 HG11 ' CG1' ' B' ' 48' ' ' VAL . 9.0 t -126.51 111.68 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.2 mm -81.3 133.6 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' HB3' HG12 ' A' ' 17' ' ' VAL . 26.7 mt -127.76 162.12 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.408 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.76 147.45 49.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' B' ' 37' ' ' VAL . 38.4 mm -125.12 143.54 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.93 104.54 9.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.26 94.84 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -50.26 136.26 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -144.33 119.69 10.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.57 85.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.69 92.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -79.24 125.76 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.728 HG22 ' CD1' ' B' ' 29' ' ' ILE . 5.6 t -100.46 121.37 51.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.559 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.29 145.21 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.2 tp -117.82 153.13 34.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -101.72 -28.92 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' O ' HD21 ' A' ' 39' ' ' LEU . 8.4 t0 -88.9 86.49 6.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.63 -43.75 46.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.71 -34.72 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -88.07 -13.5 41.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.23 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -66.48 -51.08 60.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -54.88 40.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.73 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.3 m -56.53 -39.68 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -51.96 67.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.44 -60.19 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.07 -45.46 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.764 HD11 HG21 ' B' ' 5' ' ' THR . 10.5 tt -54.66 -53.46 54.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.89 68.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -75.47 -24.67 56.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.405 ' CD2' HD23 ' A' ' 62' ' ' LEU . 4.6 t80 -87.28 -34.35 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' B' ' 7' ' ' PHE . 11.1 mt -65.37 -33.42 75.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.34 -2.09 33.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -116.99 67.55 4.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.671 0.748 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 95.35 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.256 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.41 -44.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.2 -56.84 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 63' ' ' GLU . 1.4 pp -51.17 -24.97 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.697 ' N ' HD12 ' A' ' 62' ' ' LEU . 1.6 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.407 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.76 121.54 39.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.65 123.76 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 39' ' ' LEU . 31.2 mm -82.5 -45.63 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.764 HG21 HD11 ' A' ' 52' ' ' LEU . 9.5 t -175.9 -177.39 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -134.26 127.38 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.9 m-85 -118.81 175.77 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.41 33.79 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -161.22 143.44 9.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.5 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.61 2.207 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -51.25 -49.47 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.8 t -66.94 -56.44 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.95 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -57.14 -50.9 71.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.59 -47.72 63.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.5 -61.06 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.704 HG11 HG12 ' B' ' 29' ' ' ILE . 29.5 m -58.91 -23.01 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -69.23 -60.4 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -63.9 -23.35 67.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.48 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -78.34 -40.25 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -41.63 85.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -72.54 -12.76 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.45 -4.37 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.39 13.39 30.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.73 HG11 ' CG1' ' A' ' 48' ' ' VAL . 7.6 t -127.88 112.83 28.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -80.98 133.66 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' B' ' 17' ' ' VAL . 29.4 mt -128.04 161.7 28.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.415 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.45 146.83 50.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.728 ' CD1' HG22 ' A' ' 37' ' ' VAL . 39.8 mm -125.4 144.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.92 103.98 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.73 95.12 9.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -50.95 141.87 12.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -148.99 121.38 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -171.68 86.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -65.82 93.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -80.58 126.55 31.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 29' ' ' ILE . 9.9 t -99.86 123.5 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.562 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.77 144.34 50.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' ' 4' ' ' ILE . 46.3 tp -116.17 152.66 33.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.477 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -101.08 -29.11 12.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -91.35 87.78 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -49.71 -42.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.41 -34.52 61.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -89.23 -13.55 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -35.38 31.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.94 -47.47 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.643 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.06 -52.83 64.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.672 ' CG1' HG11 ' A' ' 25' ' ' VAL . 23.6 m -59.2 -40.4 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -51.61 68.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -60.96 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.72 -45.03 63.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.823 HD11 HG21 ' A' ' 5' ' ' THR . 9.9 tt -55.0 -57.81 10.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.76 -34.45 59.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -75.07 -25.78 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -87.2 -31.82 20.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.596 HD21 ' HE1' ' A' ' 7' ' ' PHE . 12.3 mt -65.29 -34.51 78.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.04 -2.41 33.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -117.41 67.53 5.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.733 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.5 Cg_endo -69.74 94.22 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.33 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.54 -49.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.56 -52.53 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' B' ' 59' ' ' PRO . 0.9 OUTLIER -50.53 -24.4 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.699 ' N ' HD12 ' B' ' 62' ' ' LEU . 4.5 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.45 119.32 6.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.532 HG13 HD11 ' A' ' 27' ' ' LEU . 27.7 mm -78.43 -47.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.732 HG21 HD11 ' B' ' 52' ' ' LEU . 9.6 t -176.02 -177.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -134.14 132.99 40.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' B' ' 56' ' ' LEU . 24.6 m-85 -121.99 166.14 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.19 22.47 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -145.0 142.79 18.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -49.17 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.13 -53.08 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.05 -52.7 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.64 -63.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -56.31 -47.26 79.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.2 -46.33 68.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.35 -60.21 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.719 HG11 HG12 ' A' ' 29' ' ' ILE . 29.5 m -58.41 -21.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -72.62 -59.99 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -23.96 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.558 ' SD ' HG12 ' B' ' 48' ' ' VAL . 2.2 mmt -80.74 -41.17 24.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.05 94.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -71.94 -12.91 61.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -92.11 -1.73 57.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.09 -3.43 51.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.744 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.9 t -109.39 113.12 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.635 ' O ' HD22 ' A' ' 27' ' ' LEU . 50.4 mm -81.34 133.69 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.663 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.6 mm? -128.68 160.92 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.89 147.42 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.723 ' CD1' HG22 ' B' ' 37' ' ' VAL . 36.9 mm -125.31 144.26 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.98 103.48 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.87 104.86 13.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -53.98 175.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -163.72 95.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -128.57 -176.04 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.56 102.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -85.22 127.36 34.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.744 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.7 t -99.82 120.48 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.45 144.75 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.8 tp -117.64 152.8 34.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -103.65 -27.47 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.5 t0 -89.4 88.96 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -49.34 -43.72 43.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -33.95 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 48' ' ' VAL . 2.6 mp0 -89.03 -13.96 37.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -27.14 16.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -78.8 -52.71 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.25 -35.68 72.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.742 ' CG1' HG11 ' B' ' 25' ' ' VAL . 35.0 m -73.76 -42.38 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 48' ' ' VAL . 2.4 mtt180 -57.97 -42.27 84.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.76 -58.76 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.34 -40.43 71.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.738 HD11 HG21 ' B' ' 5' ' ' THR . 10.3 tt -61.92 -51.03 69.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.32 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.5 mtt-85 -81.83 -24.87 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.736 ' CD2' HD23 ' A' ' 62' ' ' LEU . 5.1 t80 -86.31 -39.19 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.59 HD21 ' CE1' ' B' ' 7' ' ' PHE . 7.4 mt -57.31 -36.63 71.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.37 -2.32 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -115.37 69.91 2.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 83.96 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.76 -43.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.21 -59.05 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.736 HD23 ' CD2' ' A' ' 55' ' ' PHE . 1.6 pp -50.78 -28.92 10.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 120.41 36.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.23 119.33 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.514 HD12 HG21 ' A' ' 48' ' ' VAL . 28.9 mm -78.56 -47.35 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.738 HG21 HD11 ' A' ' 52' ' ' LEU . 9.7 t -175.87 -177.96 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -134.41 127.25 31.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.59 ' CE1' HD21 ' A' ' 56' ' ' LEU . 23.6 m-85 -115.9 163.66 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.27 25.79 8.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -148.08 140.63 14.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.26 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -54.08 -46.67 72.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -65.67 -53.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.42 -62.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -56.04 -47.99 76.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.91 67.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.35 -60.13 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.733 HG11 HG12 ' B' ' 29' ' ' ILE . 31.3 m -58.62 -22.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -72.28 -59.81 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -24.31 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.554 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.1 mmt -79.69 -42.15 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.09 96.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -72.09 -12.92 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.23 -1.68 56.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.17 -3.78 51.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.742 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.7 t -109.34 113.23 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.621 ' O ' HD22 ' B' ' 27' ' ' LEU . 51.3 mm -81.22 133.55 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.682 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.6 mm? -128.33 160.81 31.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.412 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.09 147.28 50.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.744 ' CD1' HG22 ' A' ' 37' ' ' VAL . 40.5 mm -125.33 144.75 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.7 103.73 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -81.11 107.18 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -54.36 176.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -165.58 95.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -127.46 -177.24 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m -159.58 99.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -84.12 126.08 32.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.723 HG22 ' CD1' ' A' ' 29' ' ' ILE . 12.3 t -99.71 120.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -128.65 144.9 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.487 HD21 ' O ' ' B' ' 41' ' ' ASP . 30.6 tp -117.82 152.67 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.403 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.14 -27.79 12.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.487 ' O ' HD21 ' B' ' 39' ' ' LEU . 17.2 t0 -88.99 88.89 7.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -49.42 -43.75 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -34.55 60.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.825 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.453 ' O ' HG22 ' B' ' 48' ' ' VAL . 2.6 mp0 -88.4 -13.91 39.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.93 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -78.84 -52.82 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.454 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -57.9 -35.86 71.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.744 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.7 m -73.74 -42.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.459 ' N ' HG23 ' B' ' 48' ' ' VAL . 2.8 mtt180 -57.85 -41.65 82.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.41 -59.23 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -55.24 -38.99 69.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -63.45 -50.4 69.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.1 68.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -82.44 -26.84 32.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.646 ' CD2' HD23 ' B' ' 62' ' ' LEU . 6.9 t80 -85.51 -37.36 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.7 mt -57.95 -37.22 73.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.94 -2.49 37.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -116.43 69.42 4.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.62 0.724 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.565 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.2 Cg_endo -69.77 85.37 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.8 -48.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.62 -52.99 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.646 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.9 pp -49.35 -26.45 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.641 ' N ' HD12 ' B' ' 62' ' ' LEU . 6.5 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.755 0.312 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.6 119.53 33.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.01 116.65 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' B' ' 39' ' ' LEU . 26.2 mm -73.03 -49.37 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.772 HG21 HD11 ' B' ' 52' ' ' LEU . 14.5 t -175.94 175.12 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -123.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.613 ' HE1' HD21 ' B' ' 56' ' ' LEU . 15.6 m-85 -119.0 175.34 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.45 35.01 3.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -164.96 143.9 5.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.743 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -46.67 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -50.62 58.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.532 HG22 ' O ' ' B' ' 62' ' ' LEU . 59.9 t -64.38 -56.99 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.39 -57.43 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -58.69 -51.34 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.67 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.046 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.66 ' CD2' HD12 ' B' ' 52' ' ' LEU . 4.2 m-85 -57.35 -60.34 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.683 HG11 HG12 ' A' ' 29' ' ' ILE . 28.2 m -58.99 -21.13 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.48 -59.96 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.3 p90 -63.03 -29.78 71.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.516 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.8 OUTLIER -74.86 -38.78 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.08 85.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 t -71.13 -12.68 61.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -92.19 -1.1 57.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.83 -4.7 53.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' CG1' ' B' ' 48' ' ' VAL . 11.5 t -107.09 112.24 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.817 0.342 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mm -80.67 133.52 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.1 mt -126.94 160.55 30.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 147.01 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' B' ' 37' ' ' VAL . 39.5 mm -125.03 143.3 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.61 103.18 8.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.59 119.72 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -76.14 176.74 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -169.8 116.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -143.99 178.37 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.5 m -161.56 97.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -83.33 124.65 30.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' CD1' ' B' ' 29' ' ' ILE . 2.9 t -99.7 118.22 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -125.69 144.97 50.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 41' ' ' ASP . 25.9 tp -117.54 152.39 35.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -102.57 -27.71 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.472 ' O ' HD21 ' A' ' 39' ' ' LEU . 15.4 t0 -88.44 85.25 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -50.19 -44.01 52.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.88 -33.43 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -89.23 -13.44 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.8 -37.02 40.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.4 -50.27 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -56.31 23.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.731 ' CG1' HG11 ' B' ' 25' ' ' VAL . 29.7 m -55.19 -37.26 42.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -60.03 -52.35 65.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.75 -54.98 40.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.13 -47.74 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.735 HD11 HG21 ' B' ' 5' ' ' THR . 0.6 OUTLIER -52.2 -52.22 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.48 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -69.06 -20.85 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' HD1' HD23 ' A' ' 62' ' ' LEU . 2.2 t80 -87.46 -41.59 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.572 HD21 ' HE1' ' B' ' 7' ' ' PHE . 9.4 mt -58.02 -33.59 69.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -79.2 -0.96 34.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -113.47 72.54 1.82 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.5 Cg_endo -69.72 101.36 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -177.63 -45.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -48.67 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 63' ' ' GLU . 1.1 pp -61.16 -17.51 53.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.722 ' N ' HD12 ' A' ' 62' ' ' LEU . 8.1 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.418 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.46 120.57 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 116.89 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 39' ' ' LEU . 22.9 mm -73.12 -50.44 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.735 HG21 HD11 ' A' ' 52' ' ' LEU . 13.6 t -174.87 174.52 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -124.78 134.43 52.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.572 ' HE1' HD21 ' A' ' 56' ' ' LEU . 17.8 m-85 -122.26 174.24 7.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.39 35.07 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -163.88 142.46 6.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.22 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -45.62 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 62' ' ' LEU . 84.2 t -68.93 -55.88 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.66 -56.02 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -59.45 -49.87 76.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.86 -47.54 67.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.5 m-85 -57.99 -59.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.733 HG11 HG12 ' B' ' 29' ' ' ILE . 28.6 m -60.03 -21.86 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.64 -59.59 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -61.23 -31.08 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.73 -37.06 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.57 91.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -74.75 -12.76 60.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -90.12 -0.78 57.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 -4.68 54.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.731 HG11 ' CG1' ' A' ' 48' ' ' VAL . 13.5 t -107.89 112.4 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.105 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -80.93 133.59 29.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 mt -126.68 161.57 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.97 146.55 50.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.733 HG12 HG11 ' B' ' 17' ' ' VAL . 37.0 mm -125.67 144.14 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.22 103.64 8.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -85.62 125.9 33.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -84.27 -178.84 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -171.37 118.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -147.87 179.77 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 68.8 m -159.89 103.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -87.03 125.66 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.5 t -99.54 118.66 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.53 141.91 51.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.5 tp -113.54 152.99 29.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.436 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.69 -27.49 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.442 ' O ' HD21 ' B' ' 39' ' ' LEU . 16.2 t0 -89.72 88.15 7.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -49.85 -44.66 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.19 -32.36 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.477 ' HG2' HG22 ' A' ' 25' ' ' VAL . 2.0 tp60 -88.55 -14.25 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.9 -39.13 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.84 -46.81 80.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.568 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.81 -55.47 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.682 ' CG1' HG11 ' A' ' 25' ' ' VAL . 31.1 m -56.66 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -59.52 -51.74 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.59 -57.0 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -55.04 -50.4 69.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 5' ' ' THR . 0.4 OUTLIER -51.04 -51.4 53.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.88 -40.92 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.59 -21.15 61.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.47 ' HD1' HD23 ' B' ' 62' ' ' LEU . 2.0 t80 -87.07 -41.5 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.613 HD21 ' HE1' ' A' ' 7' ' ' PHE . 9.2 mt -58.81 -33.76 70.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -78.39 -2.05 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -117.56 67.31 5.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.658 0.742 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.721 ' HA ' HD11 ' B' ' 62' ' ' LEU . 54.0 Cg_endo -69.75 105.82 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -177.09 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.08 -40.29 5.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.721 HD11 ' HA ' ' B' ' 59' ' ' PRO . 0.4 OUTLIER -66.44 -11.0 49.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.574 ' N ' HD12 ' B' ' 62' ' ' LEU . 3.6 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.48 119.14 32.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.09 116.93 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.514 HG13 HD11 ' A' ' 27' ' ' LEU . 24.8 mm -74.57 -51.83 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.632 HG21 HD11 ' B' ' 52' ' ' LEU . 7.1 t -176.22 -173.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -134.95 148.63 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -129.64 160.93 31.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.21 16.59 21.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -147.29 140.09 14.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -49.43 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -52.26 -47.72 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.75 -50.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -51.45 -54.86 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.06 -50.83 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.34 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' HZ ' HD22 ' B' ' 56' ' ' LEU . 3.2 m-85 -58.2 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.702 HG11 HG12 ' A' ' 29' ' ' ILE . 27.3 m -57.13 -22.97 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.89 -59.57 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -22.59 66.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.441 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -78.29 -39.84 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.65 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -68.56 -12.83 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -94.38 -4.1 49.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.34 12.09 34.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.0 t -124.95 111.54 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.605 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.1 mm -81.11 132.41 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 ' HB3' HG12 ' A' ' 17' ' ' VAL . 4.5 mm? -126.74 161.04 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.41 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.64 141.65 51.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.713 ' CD1' HG22 ' B' ' 37' ' ' VAL . 30.7 mm -118.46 143.26 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.03 103.41 8.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.42 108.88 20.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -62.02 -174.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -171.9 108.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -147.16 106.79 3.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.87 102.08 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.05 128.93 35.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.731 HG22 ' CD1' ' B' ' 29' ' ' ILE . 14.2 t -99.39 121.17 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.84 143.29 50.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD21 ' O ' ' A' ' 41' ' ' ASP . 31.1 tp -115.85 153.01 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -102.89 -28.04 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.455 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.0 t0 -88.76 87.33 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -49.5 -44.01 45.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.32 -34.41 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.31 -13.76 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.02 48.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.61 -48.43 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.84 -53.66 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.685 ' CG1' HG11 ' B' ' 25' ' ' VAL . 28.7 m -57.93 -38.89 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -59.05 -52.24 66.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.45 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -54.59 -50.86 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.578 HD11 HG21 ' B' ' 5' ' ' THR . 0.7 OUTLIER -50.25 -55.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -65.75 -24.16 66.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.723 ' CD2' HD23 ' A' ' 62' ' ' LEU . 2.0 t80 -83.98 -31.46 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.485 HD22 ' HZ ' ' B' ' 16' ' ' PHE . 3.2 mm? -64.76 -37.08 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -77.82 -1.2 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -113.87 70.65 1.81 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 77.93 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.62 2.213 . . . . 0.0 112.351 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -153.69 -62.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -65.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.723 HD23 ' CD2' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -51.97 106.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.404 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.21 119.77 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 120.35 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.58 HG13 HD11 ' B' ' 27' ' ' LEU . 22.5 mm -78.62 -46.64 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.578 HG21 HD11 ' A' ' 52' ' ' LEU . 10.0 t -175.61 -177.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 65.5 p -134.41 128.24 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -116.26 161.33 19.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.24 29.33 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.32 140.04 13.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.727 2.284 . . . . 0.0 112.316 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -55.97 -45.01 79.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.51 -49.57 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -55.19 -49.2 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.91 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.485 ' HZ ' HD22 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -59.59 -61.7 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.666 HG11 HG12 ' B' ' 29' ' ' ILE . 28.1 m -57.09 -25.2 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.16 -58.95 3.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.54 -24.47 67.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.424 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -77.91 -38.33 45.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.2 t -68.98 -13.03 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.74 -4.7 49.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.2 14.1 29.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.685 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.1 t -128.0 112.42 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.62 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.2 mm -81.17 133.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.661 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -127.42 162.49 26.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.87 148.47 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.731 ' CD1' HG22 ' A' ' 37' ' ' VAL . 40.4 mm -125.28 144.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.29 103.78 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.65 107.07 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -58.44 -177.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -169.69 108.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -146.48 105.82 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.3 m -95.56 104.7 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.84 126.92 36.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' A' ' 29' ' ' ILE . 3.1 t -99.68 121.43 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -127.99 138.56 52.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.401 HD12 ' H ' ' B' ' 40' ' ' ALA . 57.9 tp -107.98 155.0 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.401 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -105.53 -28.9 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.12 89.76 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.71 -43.25 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.66 -33.39 60.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.84 -13.68 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.29 -36.6 32.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.25 -47.58 73.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.639 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.39 -54.12 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.648 ' CG1' HG11 ' A' ' 25' ' ' VAL . 24.3 m -57.22 -39.4 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -58.36 -53.92 52.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.28 -57.95 10.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.26 -51.12 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.632 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -49.99 -54.85 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.96 -42.54 69.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -64.12 -27.78 69.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.637 ' CD2' HD23 ' B' ' 62' ' ' LEU . 0.8 OUTLIER -82.17 -35.36 28.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.597 HD22 ' HZ ' ' A' ' 16' ' ' PHE . 2.8 mm? -59.57 -39.37 83.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -77.9 -1.25 30.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -114.47 69.55 2.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.645 0.736 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 76.59 1.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.65 -66.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -59.97 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.637 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.1 pp -56.96 107.31 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -119.86 124.52 46.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.5 129.5 42.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.563 HD11 ' HB3' ' B' ' 39' ' ' LEU . 33.5 mm -91.94 -44.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.833 HG21 HD11 ' B' ' 52' ' ' LEU . 10.3 t -175.73 -179.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -134.5 123.24 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.622 ' HE1' HD21 ' B' ' 56' ' ' LEU . 22.3 m-85 -115.22 171.79 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HB2' ' OE1' ' B' ' 34' ' ' GLN . . . -132.27 49.15 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -172.06 143.91 1.4 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.614 0.721 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -51.22 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.453 HG13 ' HB2' ' B' ' 62' ' ' LEU . 59.0 t -61.86 -56.0 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -48.29 -59.84 3.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -57.49 -52.02 67.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.33 -48.96 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.01 -62.32 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.708 HG11 HG12 ' A' ' 29' ' ' ILE . 32.6 m -56.74 -22.56 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.36 -59.75 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HA ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -65.01 -21.99 66.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.453 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -78.12 -42.68 31.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.73 -41.77 82.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 19' ' ' TYR . 14.7 t -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -95.44 -4.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.35 14.71 27.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.688 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.2 t -127.92 112.2 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.581 ' O ' HD22 ' A' ' 27' ' ' LEU . 49.0 mm -80.75 131.14 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 26' ' ' ILE . 3.8 mm? -124.19 160.39 27.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.94 141.06 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.708 HG12 HG11 ' A' ' 17' ' ' VAL . 36.6 mm -116.59 142.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.86 103.95 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.45 104.42 13.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -52.29 170.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -163.35 106.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -143.9 -176.18 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.0 99.39 1.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -83.42 126.78 33.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' B' ' 29' ' ' ILE . 7.4 t -100.7 120.41 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.564 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.25 144.55 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.3 tp -117.26 153.17 33.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.72 -29.84 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' HD21 ' A' ' 39' ' ' LEU . 3.6 t70 -87.49 87.09 7.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -49.3 -45.06 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.97 -33.59 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -88.05 -13.56 41.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -35.02 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -67.1 -50.03 62.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -54.59 45.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.733 ' CG1' HG11 ' B' ' 25' ' ' VAL . 30.5 m -55.94 -40.5 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' N ' HG23 ' A' ' 48' ' ' VAL . 2.5 mtp180 -57.73 -50.88 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.99 -60.56 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.93 -48.99 66.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.78 HD11 HG21 ' B' ' 5' ' ' THR . 10.1 tt -50.74 -58.28 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -36.52 61.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -69.88 -26.5 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.728 ' CD2' HD23 ' A' ' 62' ' ' LEU . 2.6 t80 -86.39 -27.18 24.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD23 HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.58 -39.31 83.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.14 -1.42 32.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -116.25 67.73 3.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.75 78.26 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.29 -72.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -53.57 21.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 55' ' ' PHE . 1.5 pp -50.84 -30.63 14.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.96 122.17 40.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 121.47 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.9 mm -81.22 -46.31 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.78 HG21 HD11 ' A' ' 52' ' ' LEU . 10.0 t -176.05 -178.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -134.02 124.33 26.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.492 ' HE1' HD21 ' A' ' 56' ' ' LEU . 27.5 m-85 -114.75 171.25 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.76 46.54 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -171.96 142.51 1.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -48.73 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.91 -48.45 64.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 62' ' ' LEU . 45.0 t -66.36 -54.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.92 -58.51 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -57.76 -52.37 65.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.83 -47.44 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.521 ' HZ ' HD22 ' A' ' 56' ' ' LEU . 2.4 m-85 -57.6 -62.05 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.72 HG11 HG12 ' B' ' 29' ' ' ILE . 32.7 m -57.88 -22.65 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.39 -60.32 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -63.02 -24.54 67.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.525 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -79.4 -38.93 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.05 88.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -74.13 -12.56 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -91.08 -3.87 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.42 10.24 39.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.733 HG11 ' CG1' ' A' ' 48' ' ' VAL . 11.1 t -125.24 112.8 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -80.58 133.74 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 17' ' ' VAL . 28.8 mt -128.02 161.24 29.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.403 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.46 147.01 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.741 ' CD1' HG22 ' A' ' 37' ' ' VAL . 38.3 mm -124.53 144.02 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.15 103.93 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.62 103.47 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -51.31 169.23 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -164.06 101.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.418 ' OE1' ' HB2' ' A' ' 8' ' ' ALA . 76.9 mm-40 -137.51 -175.18 3.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m -159.22 101.44 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -86.39 128.53 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 29' ' ' ILE . 10.5 t -101.76 123.17 54.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.7 141.27 49.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 4' ' ' ILE . 55.3 tp -108.93 154.79 21.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.431 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -101.62 -31.86 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -91.2 90.15 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -49.79 -42.47 46.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -54.77 -33.12 60.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.92 -13.95 37.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.9 -35.33 23.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.66 -47.04 73.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.6 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.89 -53.02 62.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.688 ' CG1' HG11 ' A' ' 25' ' ' VAL . 30.4 m -58.44 -38.48 70.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -59.27 -53.76 54.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -58.95 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -52.71 -45.89 67.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.833 HD11 HG21 ' A' ' 5' ' ' THR . 3.7 tt -53.76 -56.86 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.62 62.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -73.2 -24.84 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.728 ' CD2' HD23 ' B' ' 62' ' ' LEU . 3.5 t80 -86.21 -37.31 18.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.622 HD21 ' HE1' ' A' ' 7' ' ' PHE . 11.2 mt -57.15 -38.07 72.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -77.51 -2.65 36.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -116.74 68.41 4.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.417 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.6 Cg_endo -69.72 84.98 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.49 -56.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.1 -53.91 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' B' ' 55' ' ' PHE . 1.4 pp -50.38 -25.02 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.792 0.33 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 tp -120.08 121.94 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.41 127.16 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' B' ' 39' ' ' LEU . 30.7 mm -86.31 -44.81 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.814 HG21 HD11 ' B' ' 52' ' ' LEU . 6.4 t -173.85 -177.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.28 125.2 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.615 ' CE1' HD21 ' B' ' 56' ' ' LEU . 21.2 m-85 -114.82 173.35 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.61 44.02 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.46 143.49 0.86 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.75 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.3 mtt-85 -50.51 -54.12 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.56 -54.15 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' B' ' 35' ' ' SER . . . -47.77 -62.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -53.75 -43.73 69.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.86 -58.13 9.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' B' ' 52' ' ' LEU . 9.5 m-85 -50.31 -50.35 51.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 27' ' ' LEU . 73.9 t -66.68 -23.2 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -68.57 -59.95 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.1 p90 -62.89 -32.95 74.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.527 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.0 OUTLIER -71.77 -38.14 70.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.58 80.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -68.02 -12.68 61.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -92.41 -1.68 56.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 -4.36 53.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' CG1' ' B' ' 48' ' ' VAL . 10.5 t -108.2 112.04 38.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.328 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mm -81.36 132.38 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB2' HG13 ' A' ' 17' ' ' VAL . 27.1 mt -126.14 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.4 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -128.12 151.1 49.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.9 mm -125.97 144.05 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.84 103.74 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.88 100.18 12.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -54.2 174.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -172.51 121.22 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -163.24 130.03 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.16 93.87 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.61 125.78 30.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' B' ' 29' ' ' ILE . 14.9 t -98.36 122.08 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -129.87 142.93 50.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' B' ' 4' ' ' ILE . 29.4 tp -116.0 153.25 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -99.3 -31.61 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' O ' HD21 ' A' ' 39' ' ' LEU . 40.0 t0 -87.48 86.73 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -49.97 -44.19 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.76 -32.19 59.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.06 -13.59 35.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.6 -35.86 22.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -66.41 -49.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.84 -55.0 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.727 ' CG1' HG11 ' B' ' 25' ' ' VAL . 24.7 m -55.47 -39.62 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -58.28 -50.31 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.6 7.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -55.37 -46.65 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.798 HD11 HG21 ' B' ' 5' ' ' THR . 10.2 tt -51.55 -54.74 24.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.57 76.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -70.62 -24.5 62.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.667 ' CD2' HD23 ' A' ' 62' ' ' LEU . 5.8 t80 -86.47 -42.9 13.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.573 HD21 ' CE1' ' B' ' 7' ' ' PHE . 13.9 mt -56.95 -35.56 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.26 -2.01 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -113.94 72.34 2.13 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.676 0.75 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 85.84 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.77 -40.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.62 -58.94 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.667 HD23 ' CD2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -55.7 100.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.3 tp -120.06 123.18 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.73 124.15 18.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.622 HG13 HD11 ' B' ' 27' ' ' LEU . 30.4 mm -83.29 -47.45 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.798 HG21 HD11 ' A' ' 52' ' ' LEU . 5.9 t -171.19 -176.23 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.15 125.27 27.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.573 ' CE1' HD21 ' A' ' 56' ' ' LEU . 20.2 m-85 -114.63 176.03 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.28 48.67 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -176.47 143.45 0.61 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -51.79 -49.05 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.86 -53.13 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.533 ' HB1' HG21 ' B' ' 29' ' ' ILE . . . -48.84 -62.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -55.96 -43.67 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.6 -58.98 5.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 52' ' ' LEU . 8.6 m-85 -50.2 -49.98 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.711 HG21 HG12 ' B' ' 29' ' ' ILE . 76.0 t -66.58 -23.0 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -69.15 -59.61 2.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.0 OUTLIER -62.54 -33.31 74.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.424 ' HG3' ' HB ' ' B' ' 25' ' ' VAL . 1.3 tpt -71.48 -39.17 71.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.72 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -71.42 -12.66 61.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -90.79 -1.03 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.49 54.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.727 HG11 ' CG1' ' A' ' 48' ' ' VAL . 10.3 t -109.19 113.03 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.457 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.9 mm -79.97 127.51 39.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' B' ' 17' ' ' VAL . 1.1 mm? -121.96 157.89 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.427 HG21 ' CH2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.64 150.73 49.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.722 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.4 mm -125.46 145.19 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.63 103.83 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.19 107.82 19.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -66.21 178.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -174.04 119.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -161.29 131.51 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -109.04 93.94 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.88 127.21 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 29' ' ' ILE . 5.4 t -99.25 125.59 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -132.2 142.88 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 4' ' ' ILE . 40.2 tp -114.56 152.42 31.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.484 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.23 -29.28 12.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.419 ' O ' HD21 ' B' ' 39' ' ' LEU . 44.8 t0 -91.14 88.28 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -49.7 -42.83 46.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.82 -32.86 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.36 -13.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.06 25.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -65.61 -47.43 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.546 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.34 -54.85 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.682 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.9 m -56.47 -38.32 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -59.52 -51.01 71.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.96 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.15 -46.1 79.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.814 HD11 HG21 ' A' ' 5' ' ' THR . 9.7 tt -51.6 -54.37 28.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.6 81.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.112 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -68.14 -23.48 64.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.58 ' CD2' HD23 ' B' ' 62' ' ' LEU . 3.2 t80 -86.71 -44.85 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 7' ' ' PHE . 15.9 mt -57.11 -34.6 68.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.89 -2.26 32.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -112.96 73.99 1.68 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.721 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 86.29 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -171.01 -38.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.63 -60.14 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.58 HD23 ' CD2' ' B' ' 55' ' ' PHE . 0.7 OUTLIER -62.85 97.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.502 ' HE1' ' HB2' ' B' ' 40' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 3' ' ' MET . 0.9 OUTLIER -119.2 123.15 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.427 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.31 125.95 25.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.57 ' HB ' HG23 ' B' ' 37' ' ' VAL . 12.0 mm -91.38 -48.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 52' ' ' LEU . 10.5 t -177.12 -176.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 p -135.02 149.03 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.53 ' HE1' HD21 ' B' ' 56' ' ' LEU . 21.9 m-85 -128.04 163.07 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.16 144.75 9.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -48.2 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.337 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.62 -50.23 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG22 ' O ' ' B' ' 62' ' ' LEU . 76.4 t -59.09 -53.54 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.54 -56.58 9.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -59.0 -51.13 71.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -47.38 64.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' HD12 ' B' ' 52' ' ' LEU . 3.2 m-85 -58.34 -61.26 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG11 HG12 ' A' ' 29' ' ' ILE . 32.6 m -57.59 -21.9 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -70.49 -59.33 2.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -64.71 -22.67 67.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.536 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.1 OUTLIER -79.82 -41.33 26.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.06 82.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -69.48 -13.15 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -95.57 -4.29 44.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.1 16.62 22.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.674 HG11 ' CG1' ' B' ' 48' ' ' VAL . 14.2 t -128.36 111.41 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mm -81.66 133.55 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' HG12 ' A' ' 17' ' ' VAL . 22.1 mt -126.41 160.0 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 134.29 49.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.639 ' CD1' HG12 ' B' ' 37' ' ' VAL . 33.4 mm -108.51 143.32 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.64 102.83 8.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 114.83 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -67.55 174.76 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -175.66 121.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -170.02 92.16 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -78.75 99.86 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -85.2 125.72 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.652 HG22 ' CD1' ' B' ' 29' ' ' ILE . 2.5 t -100.46 119.88 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.7 140.36 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' B' ' 4' ' ' ILE . 32.8 tp -109.96 152.53 25.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.56 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -101.68 -28.22 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' O ' HD21 ' A' ' 39' ' ' LEU . 17.7 t0 -89.61 87.28 6.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.53 -44.07 46.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -54.88 -33.54 62.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -13.59 40.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.95 -36.48 38.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -65.3 -49.14 70.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -56.11 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.727 ' CG1' HG11 ' B' ' 25' ' ' VAL . 26.6 m -54.84 -39.35 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.61 -52.61 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -58.33 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.24 -47.66 71.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD11 HG21 ' B' ' 5' ' ' THR . 8.1 tt -51.65 -57.8 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.56 -40.35 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.23 -21.98 62.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.761 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.7 t80 -86.54 -39.86 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD21 ' HE1' ' B' ' 7' ' ' PHE . 53.0 mt -57.6 -36.41 71.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -77.76 -2.77 37.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -113.79 72.83 2.11 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 94.51 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.5 -53.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -61.87 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.7 pp -50.7 -33.12 21.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.643 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.9 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.56 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.762 0.315 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.47 121.67 39.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.13 121.59 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 39' ' ' LEU . 26.7 mm -80.2 -47.35 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.812 HG21 HD11 ' A' ' 52' ' ' LEU . 12.6 t -176.07 176.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -127.32 130.66 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.608 ' HE1' HD21 ' A' ' 56' ' ' LEU . 23.7 m-85 -118.19 171.26 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.13 38.65 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.34 143.03 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -48.36 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.406 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -46.84 62.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 62' ' ' LEU . 82.3 t -68.27 -55.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.4 -58.09 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -57.62 -49.82 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.82 -46.62 67.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -57.98 -61.31 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.72 HG11 HG12 ' B' ' 29' ' ' ILE . 35.1 m -58.68 -23.98 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.06 -59.88 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' B' ' 20' ' ' MET . 0.3 OUTLIER -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -79.08 -39.93 32.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.899 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.31 81.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -72.45 -12.61 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -93.26 -4.38 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.25 14.48 28.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.727 HG11 ' CG1' ' A' ' 48' ' ' VAL . 10.7 t -128.09 112.42 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.87 133.68 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.469 ' HB3' HG12 ' B' ' 17' ' ' VAL . 32.3 mt -127.27 161.0 29.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.78 138.44 53.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.72 HG12 HG11 ' B' ' 17' ' ' VAL . 42.5 mm -116.2 143.38 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 103.04 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.32 115.68 28.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -66.95 178.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -175.8 119.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -172.57 94.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 12.6 m -81.58 91.47 6.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -80.55 122.12 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -99.02 131.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.04 149.78 52.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.464 HD21 ' O ' ' B' ' 41' ' ' ASP . 34.8 tp -113.14 153.94 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HB2' ' HE1' ' A' ' 1' ' ' MET . . . -100.87 -31.49 11.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.464 ' O ' HD21 ' B' ' 39' ' ' LEU . 15.5 t0 -88.29 90.65 8.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -48.99 -45.57 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -55.66 -31.68 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.41 -14.1 41.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.03 -37.42 32.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.83 -44.36 85.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.567 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.86 -54.89 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.674 ' CG1' HG11 ' A' ' 25' ' ' VAL . 17.4 m -55.46 -40.24 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -59.45 -53.48 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.73 -60.0 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -53.37 -45.24 69.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.722 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -53.05 -57.71 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.42 -39.69 67.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.85 -22.44 61.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.744 ' CD2' HD23 ' B' ' 62' ' ' LEU . 4.3 t80 -86.28 -37.55 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.53 HD21 ' HE1' ' A' ' 7' ' ' PHE . 83.7 mt -57.0 -37.11 71.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.76 -2.7 40.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -114.38 72.26 2.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.642 0.735 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 94.79 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.8 -59.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -57.37 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.744 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.3 pp -48.52 -31.94 7.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.669 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.1 tp -119.97 123.47 43.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.15 128.48 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' B' ' 39' ' ' LEU . 31.8 mm -88.82 -45.27 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.534 HG21 HD11 ' B' ' 52' ' ' LEU . 11.6 t -175.71 179.97 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 p -131.8 139.64 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.577 ' CE1' HD21 ' B' ' 56' ' ' LEU . 24.8 m-85 -133.75 161.54 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.05 32.2 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -156.48 141.0 11.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.737 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -51.02 -46.05 61.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.04 -55.53 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.55 -59.98 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -56.19 -45.75 79.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -45.91 79.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.624 ' CD1' HD12 ' B' ' 52' ' ' LEU . 4.4 m-85 -60.21 -60.63 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG11 HG12 ' A' ' 29' ' ' ILE . 35.3 m -58.98 -23.83 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.02 -59.74 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -25.22 68.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.536 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.2 mmt -76.86 -43.47 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.88 -42.08 95.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -70.46 -12.78 61.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -96.49 -3.61 42.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.72 16.67 23.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG21 ' HD2' ' B' ' 47' ' ' ARG . 57.5 t -127.84 112.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mm -82.29 133.17 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' A' ' 17' ' ' VAL . 24.7 mt -130.26 162.34 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.86 146.78 50.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.742 ' CD1' HG22 ' B' ' 37' ' ' VAL . 40.6 mm -124.94 144.1 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.98 103.93 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.85 90.3 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -51.54 154.47 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.38 114.72 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -144.22 77.8 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 m -62.05 97.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -86.47 128.55 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.748 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.2 t -99.66 122.42 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.73 148.84 52.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.971 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' B' ' 4' ' ' ILE . 43.3 tp -122.29 152.24 40.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.87 -31.97 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -88.01 88.52 7.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 49.4 mt-10 -48.87 -41.12 32.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 m -53.35 -37.53 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -87.18 -14.14 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -53.13 -26.25 16.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -78.39 -53.32 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.799 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.19 -35.39 71.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.74 ' CG1' HG11 ' B' ' 25' ' ' VAL . 34.6 m -74.05 -40.67 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.5 mtt180 -59.33 -43.01 92.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.87 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.08 -43.65 78.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -60.63 -51.51 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -34.14 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -77.51 -26.2 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.774 ' CD2' HD23 ' A' ' 62' ' ' LEU . 9.0 t80 -82.62 -37.61 24.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.581 HD21 ' CE1' ' B' ' 7' ' ' PHE . 7.1 mt -56.3 -40.27 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.41 -2.34 34.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -113.41 72.98 1.84 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 92.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -147.97 -48.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.38 -55.49 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.774 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.6 pp -50.96 -30.63 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.655 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 25.9 tp -119.77 123.58 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.18 128.46 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.574 HG13 HD11 ' B' ' 27' ' ' LEU . 30.7 mm -89.61 -45.02 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.547 HG21 HD11 ' A' ' 52' ' ' LEU . 10.5 t -175.75 -179.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -133.12 138.97 46.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.581 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.1 m-85 -132.8 161.19 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.94 35.27 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -157.37 140.49 10.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.5 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -52.54 -46.28 66.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 62' ' ' LEU . 75.8 t -66.83 -54.9 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.1 -60.25 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -57.05 -44.85 83.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.1 78.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.615 ' CD1' HD12 ' A' ' 52' ' ' LEU . 4.5 m-85 -58.84 -57.59 12.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.685 HG11 HG12 ' B' ' 29' ' ' ILE . 27.4 m -61.48 -23.4 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.71 -60.02 2.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.41 ' HA ' HG22 ' B' ' 22' ' ' THR . 0.4 OUTLIER -63.99 -25.59 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.514 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.3 mmt -74.71 -44.94 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.78 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.41 HG22 ' HA ' ' B' ' 19' ' ' TYR . 14.7 t -69.81 -12.79 61.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.53 -3.73 42.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.64 16.96 22.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.799 HG21 ' HD2' ' A' ' 47' ' ' ARG . 59.8 t -128.33 112.07 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.458 ' O ' HD22 ' B' ' 27' ' ' LEU . 48.8 mm -83.14 125.99 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.678 ' HB3' HG12 ' B' ' 17' ' ' VAL . 0.7 OUTLIER -122.29 163.25 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.424 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.21 147.0 50.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.748 ' CD1' HG22 ' A' ' 37' ' ' VAL . 39.2 mm -124.74 144.68 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.08 103.69 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -85.77 91.29 8.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -50.72 162.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.81 114.96 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -145.52 76.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -61.07 97.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -87.38 127.31 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.742 HG22 ' CD1' ' A' ' 29' ' ' ILE . 7.5 t -99.35 122.97 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -131.68 146.41 52.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.585 ' HB3' HD11 ' A' ' 4' ' ' ILE . 42.4 tp -119.5 152.7 36.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -100.07 -31.69 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -88.37 88.33 7.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -48.88 -41.36 33.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.0 m -53.36 -37.06 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.426 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.2 OUTLIER -87.95 -13.68 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.405 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -53.52 -26.21 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -78.3 -53.26 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.818 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -57.89 -35.38 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.75 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.4 m -74.33 -40.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.431 ' N ' HG23 ' B' ' 48' ' ' VAL . 1.4 mtt180 -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.44 -55.68 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -56.29 -42.79 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -61.96 -51.04 69.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.74 -32.83 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -78.02 -28.5 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.744 ' CD2' HD23 ' B' ' 62' ' ' LEU . 11.8 t80 -81.72 -35.86 29.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.577 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.7 mt -55.87 -41.22 74.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -77.79 -2.06 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -113.56 73.52 2.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.645 0.736 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.446 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.0 Cg_endo -69.84 92.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.63 -51.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.37 -51.77 3.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.744 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.2 pp -49.8 -29.84 8.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.678 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.775 0.321 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.63 122.35 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 119.84 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.56 HD12 HG21 ' B' ' 48' ' ' VAL . 30.7 mm -79.03 -47.0 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.781 HG21 HD11 ' B' ' 52' ' ' LEU . 10.6 t -175.82 -179.34 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.35 126.62 31.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.837 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' B' ' 56' ' ' LEU . 26.0 m-85 -114.88 159.13 21.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.99 18.9 19.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.39 142.6 17.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.45 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -51.02 -50.57 58.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.97 -51.8 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.618 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -51.43 -63.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -53.9 -43.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -55.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -52.11 -47.6 65.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.632 HG21 HG12 ' A' ' 29' ' ' ILE . 71.7 t -66.23 -27.9 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.14 -60.32 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -26.26 68.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.48 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.3 mmt -76.19 -38.84 56.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.51 78.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -69.34 -13.04 62.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -93.35 -4.35 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.07 13.8 30.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.758 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.2 t -128.22 112.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 111.101 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.29 133.14 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.522 ' CB ' HG22 ' A' ' 17' ' ' VAL . 30.4 mt -128.0 162.47 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.05 150.77 50.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.743 ' CD1' HG22 ' B' ' 37' ' ' VAL . 43.9 mm -125.61 145.41 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.99 104.73 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.25 104.17 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -52.13 169.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -155.62 35.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -66.82 -171.97 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m -158.66 111.19 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -95.45 127.85 41.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.713 HG22 ' CD1' ' B' ' 29' ' ' ILE . 6.1 t -99.01 121.18 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.79 144.36 51.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.543 HD13 HD23 ' B' ' 27' ' ' LEU . 27.2 tp -117.87 152.86 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -102.2 -29.35 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.457 ' O ' HD21 ' A' ' 39' ' ' LEU . 54.3 t0 -86.85 86.91 7.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -49.79 -44.71 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.9 m -54.82 -33.35 61.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -13.45 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.27 -34.24 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.82 -50.64 55.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -54.27 48.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.747 ' CG1' HG11 ' B' ' 25' ' ' VAL . 31.4 m -56.28 -41.47 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.8 -51.36 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.62 -60.53 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -52.29 -48.8 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.794 HD11 HG21 ' B' ' 5' ' ' THR . 10.4 tt -51.56 -52.51 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.09 -34.89 72.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -25.53 61.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.701 ' CD2' HD23 ' A' ' 62' ' ' LEU . 4.9 t80 -86.48 -43.15 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' B' ' 7' ' ' PHE . 11.4 mt -59.03 -34.65 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.23 -2.26 33.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -112.91 74.35 1.72 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 82.9 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.262 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.12 -40.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.08 -67.4 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.701 HD23 ' CD2' ' A' ' 55' ' ' PHE . 1.2 pp -52.12 113.46 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.11 122.59 41.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.75 120.71 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.0 mm -79.16 -47.09 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.794 HG21 HD11 ' A' ' 52' ' ' LEU . 11.1 t -175.99 -179.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.7 126.18 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.502 ' CE1' HD21 ' A' ' 56' ' ' LEU . 27.0 m-85 -114.89 163.38 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.14 29.08 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -154.11 140.98 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.42 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -53.65 -48.24 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.63 -50.37 76.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.77 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -54.27 -46.56 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.32 -53.31 55.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.79 -51.5 55.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.671 HG21 HG12 ' B' ' 29' ' ' ILE . 39.9 t -62.51 -29.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.34 -59.51 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -60.76 -27.8 68.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.514 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -75.23 -38.84 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.02 82.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -69.12 -13.0 62.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -94.06 -4.11 50.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.02 13.16 32.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.747 HG11 ' CG1' ' A' ' 48' ' ' VAL . 3.9 t -128.42 112.56 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -82.81 133.19 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.582 ' HB2' HG22 ' B' ' 17' ' ' VAL . 29.8 mt -126.73 163.76 22.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 149.95 50.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.713 ' CD1' HG22 ' A' ' 37' ' ' VAL . 42.2 mm -125.58 144.99 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.07 104.75 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.54 104.6 12.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -51.25 168.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -155.4 38.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.31 -173.66 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 42.9 m -157.39 105.0 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -91.19 128.18 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.743 HG22 ' CD1' ' A' ' 29' ' ' ILE . 11.6 t -98.3 121.81 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.12 144.27 51.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.546 ' HB3' HD11 ' A' ' 4' ' ' ILE . 32.7 tp -117.79 153.63 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.422 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -104.07 -27.84 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.477 ' O ' HD21 ' B' ' 39' ' ' LEU . 55.6 t0 -89.25 88.88 7.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -49.24 -43.67 42.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 23.3 m -54.22 -34.9 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.452 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.1 OUTLIER -87.95 -13.52 41.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.92 -27.92 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -78.34 -51.05 10.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.72 -35.91 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' A' ' 25' ' ' VAL . 35.3 m -73.45 -41.0 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.435 ' N ' HG23 ' B' ' 48' ' ' VAL . 0.0 OUTLIER -59.27 -43.16 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.39 -56.57 9.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -57.46 -41.37 80.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.781 HD11 HG21 ' A' ' 5' ' ' THR . 10.3 tt -59.14 -53.12 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -32.85 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -75.25 -25.93 58.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.729 ' CD2' HD23 ' B' ' 62' ' ' LEU . 13.3 t80 -86.31 -41.28 14.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 7' ' ' PHE . 12.7 mt -57.13 -36.81 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -76.55 -2.48 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -112.9 74.19 1.69 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 84.6 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.37 -41.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.56 -59.65 1.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.729 HD23 ' CD2' ' B' ' 55' ' ' PHE . 0.9 OUTLIER -53.0 102.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.3 123.13 42.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 126.35 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.712 HG13 HD11 ' A' ' 27' ' ' LEU . 23.4 mm -87.32 -46.07 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.614 HG21 HD11 ' B' ' 52' ' ' LEU . 9.0 t -175.7 -177.3 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 p -135.27 132.3 37.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' B' ' 56' ' ' LEU . 33.9 m-85 -122.0 171.39 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.16 44.63 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -175.29 142.09 0.68 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.719 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -45.9 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -50.74 -53.2 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.617 HG13 ' HB2' ' B' ' 62' ' ' LEU . 61.9 t -60.96 -53.67 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.08 -62.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -51.91 -47.87 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.56 -59.1 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.625 ' CD2' HD12 ' B' ' 52' ' ' LEU . 9.2 m-85 -50.01 -54.03 22.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.709 HG22 ' HB3' ' A' ' 27' ' ' LEU . 74.0 t -61.31 -23.3 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -69.3 -59.74 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 20' ' ' MET . 0.6 OUTLIER -63.89 -24.08 67.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.472 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -76.92 -41.42 43.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.41 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.6 t -67.48 -12.83 61.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -94.95 -2.44 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.12 1.12 51.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.713 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.8 t -112.75 112.09 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.34 125.34 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.712 HD11 HG13 ' A' ' 4' ' ' ILE . 1.4 mm? -119.74 162.81 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.04 150.34 52.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.706 HG12 HG21 ' A' ' 17' ' ' VAL . 47.0 mm -126.19 145.32 33.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.79 105.33 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.51 103.45 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -50.83 157.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -152.68 121.85 6.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -157.99 -178.1 7.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -159.98 92.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -80.53 128.83 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.738 HG22 ' CD1' ' B' ' 29' ' ' ILE . 15.2 t -99.22 123.09 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.6 145.96 52.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HB3' HD11 ' B' ' 4' ' ' ILE . 38.0 tp -118.66 153.0 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' H ' HD12 ' A' ' 39' ' ' LEU . . . -100.05 -31.53 11.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' HD21 ' A' ' 39' ' ' LEU . 60.2 t0 -89.27 88.7 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -48.7 -39.11 23.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.5 -36.78 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -85.05 -14.71 46.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.86 -40.19 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -62.72 -52.14 64.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -59.79 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.77 ' CG1' HG11 ' B' ' 25' ' ' VAL . 33.6 m -50.81 -37.32 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -61.37 -54.35 44.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.06 -55.11 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.72 -48.55 74.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.555 HD11 HG21 ' B' ' 5' ' ' THR . 0.7 OUTLIER -52.09 -50.42 61.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.66 90.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -71.47 -20.05 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CD1' HD23 ' A' ' 62' ' ' LEU . 4.9 t80 -88.18 -37.54 16.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' B' ' 7' ' ' PHE . 6.8 mt -57.34 -35.49 69.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.69 -1.21 29.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -112.14 76.27 1.8 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HA ' HD11 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.69 79.7 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.745 2.297 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.24 -66.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -49.46 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.693 HD23 ' CD1' ' A' ' 55' ' ' PHE . 2.2 pp -48.85 -33.05 9.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.648 ' N ' HD12 ' A' ' 62' ' ' LEU . 1.4 pt-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.9 tp -119.82 124.75 46.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.57 129.19 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.652 HG13 HD11 ' B' ' 27' ' ' LEU . 28.6 mm -90.51 -44.03 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.555 HG21 HD11 ' A' ' 52' ' ' LEU . 10.4 t -176.12 -178.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 19.4 p -132.77 133.52 43.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' A' ' 56' ' ' LEU . 20.8 m-85 -128.12 167.24 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.9 51.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -174.51 141.38 0.75 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.68 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -50.94 -48.59 60.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 62' ' ' LEU . 48.8 t -66.37 -54.32 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' B' ' 29' ' ' ILE . . . -50.78 -62.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.073 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -53.94 -51.73 62.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.04 -49.84 49.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -56.93 -50.99 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -61.2 -29.93 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -68.99 -59.98 2.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.489 ' HA ' ' HE3' ' B' ' 20' ' ' MET . 1.6 mmt -72.32 -44.06 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.35 80.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 11.3 t -63.07 -16.26 59.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -90.19 -2.91 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.1 54.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.77 HG11 ' CG1' ' A' ' 48' ' ' VAL . 8.5 t -110.93 114.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.7 124.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.685 HD12 ' CG1' ' A' ' 37' ' ' VAL . 1.4 mm? -118.66 161.93 19.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -129.71 150.53 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.738 ' CD1' HG22 ' A' ' 37' ' ' VAL . 29.8 mm -125.35 144.18 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.17 104.94 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.23 100.47 11.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -51.46 163.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -154.17 132.02 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -167.83 -177.62 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 2.2 m -160.51 92.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -81.26 126.83 32.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.694 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.4 t -99.33 124.2 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.82 146.17 52.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.602 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.9 tp -117.57 153.45 33.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.464 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -102.5 -28.74 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.467 ' O ' HD21 ' B' ' 39' ' ' LEU . 60.5 t0 -90.61 88.95 7.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -48.78 -40.02 27.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.57 -36.62 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -85.41 -14.41 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.08 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.57 -47.99 76.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -57.19 13.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.713 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.8 m -53.82 -37.22 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -61.39 -55.57 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.63 -55.69 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -55.4 -48.16 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -51.73 -49.53 62.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -67.09 -22.82 65.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.738 ' CE1' HD23 ' B' ' 62' ' ' LEU . 7.1 t80 -87.66 -34.65 18.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.2 mt -57.54 -35.87 70.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -79.18 -0.41 31.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -111.66 75.59 1.43 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.625 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.5 Cg_endo -69.81 78.23 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -137.09 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -47.77 14.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.738 HD23 ' CE1' ' B' ' 55' ' ' PHE . 0.7 OUTLIER -49.28 -48.79 45.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.56 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 tp -119.75 122.94 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.57 125.3 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' B' ' 39' ' ' LEU . 27.8 mm -84.88 -47.45 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.623 HG21 HD11 ' B' ' 52' ' ' LEU . 11.7 t -173.91 179.34 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -130.96 127.95 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.544 ' CE1' HD21 ' B' ' 56' ' ' LEU . 15.7 m-85 -118.03 174.51 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.85 47.96 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -175.94 140.68 0.57 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -40.55 5.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -56.26 -49.76 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' B' ' 62' ' ' LEU . 12.2 t -65.76 -53.11 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.427 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -49.21 -62.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -55.19 -48.92 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.5 -58.21 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.646 ' CD2' HD12 ' B' ' 52' ' ' LEU . 6.6 m-85 -50.8 -50.77 55.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 27' ' ' LEU . 90.6 t -64.72 -21.86 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.94 -59.78 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -61.99 -31.67 72.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.8 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.543 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -72.9 -40.71 65.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -72.28 -12.63 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -91.88 -0.78 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.0 -4.29 52.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.632 HG11 ' CG1' ' B' ' 48' ' ' VAL . 10.5 t -110.59 112.24 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.8 mm -81.14 132.66 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.694 ' HB2' HG13 ' A' ' 17' ' ' VAL . 32.9 mt -125.28 163.44 22.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.49 150.96 51.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.73 ' CD1' HG22 ' B' ' 37' ' ' VAL . 45.8 mm -125.55 144.18 36.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.33 103.77 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -83.95 116.44 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -68.45 -178.33 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -173.07 132.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -163.55 -179.63 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 m -163.55 100.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.04 128.06 35.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.711 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.6 t -99.56 120.32 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.93 142.68 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 4' ' ' ILE . 31.8 tp -115.0 152.93 31.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -101.01 -29.42 12.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' HD21 ' A' ' 39' ' ' LEU . 13.9 t0 -88.6 87.02 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -49.34 -43.63 43.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -34.61 63.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -87.43 -13.85 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.42 -36.5 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.86 -49.35 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' CD ' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.88 -53.31 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.722 ' CG1' HG11 ' B' ' 25' ' ' VAL . 29.5 m -58.95 -38.49 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.02 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.68 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.08 -47.98 74.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.732 HD11 HG21 ' B' ' 5' ' ' THR . 0.4 OUTLIER -53.11 -53.59 48.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.3 -38.59 71.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -72.17 -24.09 61.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.751 ' CD2' HD23 ' A' ' 62' ' ' LEU . 9.9 t80 -85.23 -34.97 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.655 HD21 ' HE1' ' B' ' 7' ' ' PHE . 8.4 mt -56.87 -38.53 72.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -78.49 -2.44 38.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -113.68 73.14 2.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.458 ' HA ' HD11 ' A' ' 62' ' ' LEU . 54.3 Cg_endo -69.75 85.87 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.79 -61.8 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -53.85 4.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' A' ' 55' ' ' PHE . 1.8 pp -49.64 -38.47 32.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.633 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.6 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.44 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -119.59 119.88 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 119.37 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 39' ' ' LEU . 27.9 mm -76.56 -47.31 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.732 HG21 HD11 ' A' ' 52' ' ' LEU . 13.3 t -174.33 176.0 2.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -127.19 126.72 43.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.655 ' HE1' HD21 ' A' ' 56' ' ' LEU . 19.0 m-85 -120.06 171.19 8.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.82 47.68 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -174.12 142.16 0.85 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -45.53 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -52.48 -50.1 63.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.639 HG13 ' HB2' ' A' ' 62' ' ' LEU . 63.0 t -67.53 -57.19 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.418 ' O ' HG22 ' B' ' 17' ' ' VAL . . . -47.56 -58.02 4.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.68 -45.05 90.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.8 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.712 ' CD2' HD12 ' A' ' 52' ' ' LEU . 5.0 m-85 -59.65 -58.16 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.61 HG12 ' CB ' ' B' ' 27' ' ' LEU . 26.9 m -62.85 -21.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.76 -59.85 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 1.1 p90 -62.78 -31.77 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.439 ' HE1' ' HA ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.5 -37.74 63.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.39 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -73.75 -12.8 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -90.35 -1.08 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.68 -4.36 53.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.722 HG11 ' CG1' ' A' ' 48' ' ' VAL . 16.5 t -108.35 112.38 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.31 133.4 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.61 ' CB ' HG12 ' B' ' 17' ' ' VAL . 40.3 mt -126.7 162.74 25.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.407 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.15 148.02 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.711 ' CD1' HG22 ' A' ' 37' ' ' VAL . 43.0 mm -125.59 144.51 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.16 103.9 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -84.43 117.84 23.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -69.25 -177.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -172.87 134.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -166.92 179.21 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 48.3 m -161.0 101.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.09 129.33 35.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.73 HG22 ' CD1' ' A' ' 29' ' ' ILE . 8.9 t -99.03 122.57 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.44 143.83 51.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' A' ' 4' ' ' ILE . 42.7 tp -115.89 153.5 31.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.462 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.43 -30.87 11.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.41 ' O ' HD21 ' B' ' 39' ' ' LEU . 14.7 t0 -90.45 89.25 7.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.21 -42.5 40.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.31 -33.65 63.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -88.27 -13.95 39.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.95 -38.73 37.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.08 -45.58 80.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.564 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.7 -53.88 52.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.632 ' CG1' HG11 ' A' ' 25' ' ' VAL . 26.9 m -57.82 -38.29 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -52.39 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.05 14.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.92 -44.71 78.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.646 HD12 ' CD2' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -54.13 -50.8 66.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.12 -43.38 91.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -70.44 -20.41 62.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.715 ' CE1' HD23 ' B' ' 62' ' ' LEU . 5.4 t80 -87.68 -36.79 17.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.544 HD21 ' CE1' ' A' ' 7' ' ' PHE . 6.1 mt -58.46 -35.37 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.88 -1.26 30.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -112.02 75.47 1.56 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.597 ' HA ' HD11 ' B' ' 62' ' ' LEU . 54.0 Cg_endo -69.74 78.25 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.39 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.26 -64.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.066 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.95 -47.72 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.715 HD23 ' CE1' ' B' ' 55' ' ' PHE . 0.4 OUTLIER -49.63 -53.69 22.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.442 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.97 122.44 41.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.37 122.29 12.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.612 HG13 HD11 ' A' ' 27' ' ' LEU . 26.5 mm -83.11 -45.79 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.555 HG21 HD11 ' B' ' 52' ' ' LEU . 11.3 t -175.73 -179.28 1.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -134.02 135.02 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' B' ' 56' ' ' LEU . 37.2 m-85 -127.81 170.35 12.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.02 40.86 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -165.83 140.69 3.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.34 3.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -54.66 -50.7 67.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 7' ' ' PHE . 84.0 t -63.86 -55.64 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB1' HD12 ' A' ' 29' ' ' ILE . . . -48.64 -62.63 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -54.63 -43.22 72.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -57.38 12.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.755 ' CD1' HD12 ' B' ' 52' ' ' LEU . 9.0 m-85 -51.32 -47.55 62.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HG12 ' A' ' 29' ' ' ILE . 100.0 t -67.12 -26.91 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -68.15 -61.02 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.428 ' HA ' HG22 ' A' ' 22' ' ' THR . 0.3 OUTLIER -64.2 -26.78 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.509 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.6 mmt -73.49 -41.94 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -42.67 87.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.428 HG22 ' HA ' ' A' ' 19' ' ' TYR . 12.9 t -71.18 -12.58 61.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -92.78 -4.12 53.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.21 12.24 34.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.754 HG11 ' CG1' ' B' ' 48' ' ' VAL . 3.4 t -127.71 113.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.319 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' HD22 ' A' ' 27' ' ' LEU . 50.2 mm -80.69 129.03 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 4' ' ' ILE . 2.5 mm? -123.69 161.19 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.51 150.96 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 17' ' ' VAL . 43.8 mm -125.82 145.83 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.59 104.31 8.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -85.45 95.95 9.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -51.58 168.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -167.16 112.78 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -156.53 113.63 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.73 103.01 15.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.29 126.12 34.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 ' CD1' ' B' ' 29' ' ' ILE . 10.7 t -99.64 120.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -128.98 145.81 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HB3' HD11 ' B' ' 4' ' ' ILE . 31.6 tp -118.81 152.51 36.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -103.27 -27.62 12.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.475 ' O ' HD21 ' A' ' 39' ' ' LEU . 15.4 t0 -88.89 88.23 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.24 -43.7 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -53.55 -35.13 60.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.466 ' O ' HG22 ' A' ' 48' ' ' VAL . 2.2 mp0 -88.21 -14.14 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.16 -26.22 16.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -78.73 -54.61 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -56.4 -35.94 68.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' B' ' 25' ' ' VAL . 35.4 m -74.54 -40.94 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -58.2 -41.99 85.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.65 -57.02 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.47 -44.17 76.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.616 HD12 ' CD1' ' B' ' 16' ' ' PHE . 0.5 OUTLIER -61.13 -50.94 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.8 66.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -80.05 -26.76 39.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CD2' HD23 ' A' ' 62' ' ' LEU . 6.8 t80 -82.38 -39.0 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.595 HD21 ' CE1' ' B' ' 7' ' ' PHE . 6.8 mt -56.27 -40.36 74.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -77.09 -2.98 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -113.87 73.06 2.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.4 Cg_endo -69.76 94.93 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.298 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.28 -58.73 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -53.55 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 55' ' ' PHE . 2.2 pp -49.7 -31.31 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.676 ' N ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.03 121.56 39.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.71 120.75 8.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 48' ' ' VAL . 30.6 mm -79.07 -46.69 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.492 HG21 ' CZ ' ' B' ' 7' ' ' PHE . 13.8 t -176.09 176.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -128.23 130.96 48.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.595 ' CE1' HD21 ' A' ' 56' ' ' LEU . 22.8 m-85 -124.33 166.6 15.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.99 36.29 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.47 141.58 8.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -47.85 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -48.77 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 62' ' ' LEU . 96.6 t -65.92 -55.61 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.43 ' O ' HG22 ' B' ' 17' ' ' VAL . . . -49.31 -60.05 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -56.91 -44.12 82.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.8 83.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.616 ' CD1' HD12 ' A' ' 52' ' ' LEU . 4.2 m-85 -60.33 -59.8 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.701 HG11 HG12 ' B' ' 29' ' ' ILE . 24.3 m -60.04 -24.3 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -68.88 -60.63 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.524 ' SD ' HG12 ' A' ' 48' ' ' VAL . 2.2 mmt -76.88 -40.85 46.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -41.49 85.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 t -72.7 -12.55 61.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -93.25 -4.27 52.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.29 13.95 29.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.758 HG11 ' CG1' ' A' ' 48' ' ' VAL . 5.3 t -128.11 112.81 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.7 mm -81.2 133.59 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.59 ' HB3' HG12 ' B' ' 17' ' ' VAL . 26.0 mt -128.56 162.86 26.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.14 146.57 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' A' ' 37' ' ' VAL . 38.1 mm -125.13 144.09 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.7 103.67 8.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.13 93.9 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -50.81 167.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -168.71 117.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.25 110.98 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -86.37 100.1 12.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.96 127.73 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 29' ' ' ILE . 7.1 t -98.77 123.0 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -129.76 146.48 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.0 tp -118.7 153.49 34.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.429 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.9 -27.92 11.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.477 ' O ' HD21 ' B' ' 39' ' ' LEU . 15.6 t0 -89.89 89.58 7.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -49.72 -44.32 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -53.9 -32.44 53.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -89.78 -14.61 34.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.17 -28.84 12.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -77.72 -51.29 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -59.02 -35.61 73.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.754 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.0 m -74.9 -39.17 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.409 ' N ' HG23 ' B' ' 48' ' ' VAL . 1.1 mtt180 -59.21 -45.81 90.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.48 -54.15 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.5 -46.62 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.755 HD12 ' CD1' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -59.4 -49.85 76.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.24 -34.2 68.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -74.41 -31.73 62.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.776 ' CD2' HD23 ' B' ' 62' ' ' LEU . 7.3 t80 -80.04 -32.98 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 7' ' ' PHE . 6.3 mt -55.38 -43.27 74.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.73 -2.16 34.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -113.27 73.55 1.84 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.583 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.7 Cg_endo -69.75 92.7 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -141.66 -66.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -50.69 6.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.776 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.1 pp -48.62 -32.91 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.66 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 tp -119.92 123.95 44.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 130.37 46.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' B' ' 39' ' ' LEU . 28.4 mm -92.59 -45.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.769 HG21 HD11 ' B' ' 52' ' ' LEU . 6.2 t -175.12 -174.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -134.59 127.26 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' HE1' HD21 ' B' ' 56' ' ' LEU . 17.1 m-85 -115.14 162.54 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.5 39.32 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -166.6 141.19 3.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 -51.79 -51.05 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -59.55 -51.22 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB1' HG13 ' A' ' 29' ' ' ILE . . . -49.09 -62.42 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -53.5 -47.32 69.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.12 -58.73 5.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.056 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CZ ' HD22 ' B' ' 62' ' ' LEU . 7.8 m-85 -50.26 -52.54 35.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.583 HG21 HG12 ' A' ' 29' ' ' ILE . 89.3 t -62.18 -24.32 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -69.08 -59.4 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -63.96 -25.55 68.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.544 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -75.73 -41.4 53.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -42.63 82.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 19' ' ' TYR . 12.4 t -67.85 -12.77 61.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -94.25 -3.66 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.05 7.01 47.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.663 HG11 ' CG1' ' B' ' 48' ' ' VAL . 4.2 t -121.08 113.16 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.1 mm -80.75 128.64 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HB3' HG22 ' A' ' 17' ' ' VAL . 4.4 mm? -120.44 162.35 19.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.37 150.8 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' B' ' 37' ' ' VAL . 37.9 mm -125.08 142.91 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.81 103.29 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.43 106.64 18.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -61.33 170.73 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -160.66 101.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -140.53 110.23 6.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 m -94.72 99.41 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.56 126.28 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' B' ' 29' ' ' ILE . 4.3 t -99.34 119.24 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.6 143.73 51.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD21 ' O ' ' A' ' 41' ' ' ASP . 29.5 tp -116.63 151.88 35.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HA ' ' HE3' ' B' ' 1' ' ' MET . . . -100.96 -29.51 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.45 ' O ' HD21 ' A' ' 39' ' ' LEU . 22.4 t0 -87.56 86.41 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -49.63 -44.7 47.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -34.34 63.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.98 -13.8 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.41 -35.56 39.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -66.22 -48.79 69.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -58.65 -54.44 47.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.711 ' CG1' HG11 ' B' ' 25' ' ' VAL . 25.4 m -56.51 -39.33 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -58.74 -52.14 66.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.04 -57.4 13.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.56 -48.3 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.783 HD11 HG21 ' B' ' 5' ' ' THR . 10.4 tt -50.65 -52.39 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -38.55 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -68.23 -25.02 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.676 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.7 t80 -86.98 -42.05 13.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD21 ' HE1' ' B' ' 7' ' ' PHE . 5.3 mt -60.86 -33.52 73.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -77.0 -1.98 31.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -112.32 75.07 1.61 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.96 -37.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.18 -71.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.676 HD23 ' CD2' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -52.21 102.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HA ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.74 119.57 33.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.14 117.85 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.512 HG13 HD11 ' B' ' 27' ' ' LEU . 26.9 mm -75.26 -48.55 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.783 HG21 HD11 ' A' ' 52' ' ' LEU . 7.3 t -176.2 -175.53 0.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -134.7 141.52 46.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.518 ' HE1' HD21 ' A' ' 56' ' ' LEU . 55.9 m-85 -131.29 161.57 32.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.45 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -157.96 139.33 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -53.03 -46.34 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -66.43 -52.82 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.39 -60.96 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -56.66 -44.35 81.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.78 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.423 ' CE1' ' HG ' ' A' ' 52' ' ' LEU . 3.1 m-85 -58.57 -58.28 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.689 HG11 HG12 ' B' ' 29' ' ' ILE . 30.8 m -59.58 -25.73 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.84 -59.9 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.3 OUTLIER -63.72 -25.06 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.456 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -75.37 -40.31 58.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.63 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.422 HG22 ' HA ' ' B' ' 19' ' ' TYR . 12.7 t -70.18 -12.78 61.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -93.27 -4.18 52.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.14 11.99 35.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.711 HG11 ' CG1' ' A' ' 48' ' ' VAL . 4.6 t -126.48 112.74 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.549 ' C ' HD22 ' B' ' 27' ' ' LEU . 49.3 mm -80.52 133.39 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.654 ' HB3' HG12 ' B' ' 17' ' ' VAL . 4.5 mm? -126.04 161.45 27.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.42 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.01 146.1 50.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' A' ' 37' ' ' VAL . 42.7 mm -125.21 143.3 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.01 103.12 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.43 102.99 14.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -55.6 174.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -162.73 107.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -149.7 120.26 7.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 34.5 m -108.01 96.58 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.46 130.39 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.1 t -98.85 127.32 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -133.98 141.38 47.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.544 ' HB3' HD11 ' A' ' 4' ' ' ILE . 49.4 tp -109.57 153.95 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.425 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -100.7 -32.23 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.413 ' O ' HD21 ' B' ' 39' ' ' LEU . 19.2 t0 -90.93 89.71 7.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.16 -40.29 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -33.94 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -89.28 -14.35 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.9 -38.29 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -67.7 -46.33 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.572 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -61.31 -52.79 63.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.663 ' CG1' HG11 ' A' ' 25' ' ' VAL . 27.7 m -57.41 -39.07 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.33 -51.96 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.71 -57.33 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -55.94 -48.81 75.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.769 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -50.52 -51.11 50.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.46 88.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -67.31 -25.5 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.622 ' CD2' HD23 ' B' ' 62' ' ' LEU . 3.1 t80 -87.38 -43.83 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' B' ' 52' ' ' LEU . 7.2 mt -57.96 -33.49 68.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -77.75 -1.76 32.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -112.63 74.26 1.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 87.33 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.303 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.18 -37.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.32 -68.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.622 HD23 ' CD2' ' B' ' 55' ' ' PHE . 0.7 OUTLIER -53.17 102.31 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.66 118.68 30.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.81 118.11 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' B' ' 48' ' ' VAL . 24.2 mm -75.48 -50.02 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 HG21 HD11 ' B' ' 52' ' ' LEU . 14.8 t -176.37 173.53 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p -122.13 143.79 49.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' HE1' HD21 ' B' ' 56' ' ' LEU . 31.0 m-85 -133.68 152.22 51.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.93 28.49 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -152.23 138.91 12.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.651 0.739 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -49.13 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.3 t -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.755 ' O ' HG12 ' A' ' 17' ' ' VAL . . . -54.61 -62.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -53.33 -43.22 67.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.26 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.09 -62.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 13' ' ' ALA . 1.5 p -55.65 -26.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -71.15 -60.16 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -31.51 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.528 ' SD ' HG12 ' B' ' 48' ' ' VAL . 0.3 OUTLIER -75.6 -38.74 58.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.81 95.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 t -77.8 -12.41 59.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -90.09 0.36 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 -4.81 54.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.677 HG11 ' CG1' ' B' ' 48' ' ' VAL . 13.9 t -108.86 112.79 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.134 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mm -79.56 129.32 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 17' ' ' VAL . 49.7 mt -127.29 161.74 27.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.3 OUTLIER -127.12 144.49 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.64 ' CD1' HG22 ' B' ' 37' ' ' VAL . 29.6 mm -117.91 142.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.34 103.19 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -89.17 107.59 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -52.71 171.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -164.44 120.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -162.98 179.31 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -161.14 102.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.33 126.8 35.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.7 HG22 ' CD1' ' B' ' 29' ' ' ILE . 3.5 t -99.28 119.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -127.83 143.0 51.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HD11 ' B' ' 4' ' ' ILE . 28.6 tp -115.74 150.62 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.45 -30.49 11.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.069 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' O ' HD21 ' A' ' 39' ' ' LEU . 59.0 t0 -87.05 89.38 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -48.52 -43.86 35.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -33.74 66.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.599 ' NE2' HG22 ' B' ' 25' ' ' VAL . 23.4 mt-30 -84.78 -14.89 46.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.92 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -65.01 -50.47 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.0 OUTLIER -57.74 -56.93 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.698 ' CG1' HG11 ' B' ' 25' ' ' VAL . 27.1 m -54.84 -37.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -59.57 -53.02 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 -56.64 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -55.91 -48.88 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.718 HD12 ' CD2' ' B' ' 16' ' ' PHE . 0.7 OUTLIER -50.76 -50.53 55.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.18 93.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -68.45 -19.86 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.616 ' HD1' HD23 ' A' ' 62' ' ' LEU . 1.4 t80 -88.84 -42.69 11.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' B' ' 7' ' ' PHE . 7.1 mt -57.11 -33.22 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.08 -1.18 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -115.33 68.94 2.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.488 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.77 78.42 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.75 -55.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.55 -45.91 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.616 HD23 ' HD1' ' A' ' 55' ' ' PHE . 2.4 pp -50.53 -26.64 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 62' ' ' LEU . 5.8 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.33 119.69 33.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.79 119.04 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 39' ' ' LEU . 30.8 mm -75.79 -48.65 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.713 HG21 HD11 ' A' ' 52' ' ' LEU . 13.0 t -175.81 174.65 2.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 p -124.26 132.85 53.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.56 ' CE1' HD21 ' A' ' 56' ' ' LEU . 17.7 m-85 -125.55 161.98 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.7 35.6 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -159.77 139.5 8.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -46.45 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -52.37 -49.1 65.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.95 -53.3 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.48 -56.92 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -59.64 -51.07 71.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.84 63.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.718 ' CD2' HD12 ' A' ' 52' ' ' LEU . 3.2 m-85 -58.2 -61.12 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.698 HG11 HG12 ' B' ' 29' ' ' ILE . 25.7 m -58.13 -21.51 17.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -71.08 -59.91 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.511 ' CD1' ' C ' ' B' ' 19' ' ' TYR . 0.7 OUTLIER -60.84 -30.8 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.508 ' SD ' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.07 -37.18 55.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.78 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -76.92 -12.6 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -90.08 -0.6 57.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.57 -4.17 53.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.698 HG11 ' CG1' ' A' ' 48' ' ' VAL . 21.4 t -108.6 112.35 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.3 133.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.3 mt -126.68 161.4 28.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.417 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -126.69 146.69 50.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.7 ' CD1' HG22 ' A' ' 37' ' ' VAL . 41.6 mm -125.36 143.55 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 103.29 8.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -85.06 111.9 20.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -57.02 177.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -171.22 126.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -163.95 -179.01 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -161.11 103.18 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.4 127.69 39.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.64 HG22 ' CD1' ' A' ' 29' ' ' ILE . 4.9 t -100.6 119.0 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -126.95 139.02 53.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.479 HD21 ' O ' ' B' ' 41' ' ' ASP . 44.0 tp -108.2 153.28 23.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.432 ' H ' HD12 ' B' ' 39' ' ' LEU . . . -103.42 -29.45 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.479 ' O ' HD21 ' B' ' 39' ' ' LEU . 47.7 t0 -90.53 92.17 8.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -48.63 -43.62 36.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -33.65 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.499 ' NE2' HG22 ' A' ' 25' ' ' VAL . 12.7 mt-30 -84.06 -14.98 49.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.35 -38.68 63.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -64.87 -46.74 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.648 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -60.09 -56.72 18.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.677 ' CG1' HG11 ' A' ' 25' ' ' VAL . 24.2 m -55.41 -40.53 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -57.22 -57.09 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.53 -61.25 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -50.2 -47.19 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.517 HD11 HG21 ' A' ' 5' ' ' THR . 0.5 OUTLIER -53.0 -50.8 63.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.22 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.53 -17.97 55.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.745 ' CE1' HD23 ' B' ' 62' ' ' LEU . 6.0 t80 -87.5 -37.12 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 7' ' ' PHE . 12.9 mt -57.71 -36.39 71.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -77.87 -0.76 28.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -111.75 75.65 1.48 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.589 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.9 Cg_endo -69.8 77.55 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.248 . . . . 0.0 112.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.2 -59.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.51 -47.81 10.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.745 HD23 ' CE1' ' B' ' 55' ' ' PHE . 0.4 OUTLIER -49.37 -54.68 16.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.472 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' B' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.779 0.323 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 tp -119.91 121.79 39.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.61 126.99 29.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.535 HD12 HG21 ' B' ' 48' ' ' VAL . 33.3 mm -86.03 -48.37 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.753 HG21 HD11 ' B' ' 52' ' ' LEU . 6.8 t -176.45 -174.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -135.56 149.12 49.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.21 170.02 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.11 17.46 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -146.32 141.03 15.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.37 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -46.73 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.31 -55.65 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.86 -61.13 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.88 -49.5 73.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.45 -45.79 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -59.54 -62.53 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.652 HG11 HG12 ' A' ' 29' ' ' ILE . 27.3 m -57.2 -23.02 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -70.51 -59.62 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -25.72 67.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.553 ' SD ' HG12 ' B' ' 48' ' ' VAL . 1.4 mmt -76.19 -45.63 32.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.1 t -71.34 -12.67 61.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -96.75 -3.49 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.77 16.91 22.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.729 HG11 ' CG1' ' B' ' 48' ' ' VAL . 68.1 t -127.86 112.14 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -82.65 133.47 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' CB ' HG12 ' A' ' 17' ' ' VAL . 29.6 mt -131.89 161.83 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.404 ' HB ' ' CD2' ' B' ' 38' ' ' TRP . 0.2 OUTLIER -126.98 147.21 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.733 ' CD1' HG22 ' B' ' 37' ' ' VAL . 36.7 mm -124.93 144.61 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.175 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.61 103.91 8.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.95 99.42 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -50.52 157.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -147.15 39.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -83.94 127.06 33.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.71 100.93 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -82.21 128.32 34.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' B' ' 29' ' ' ILE . 13.3 t -99.3 123.16 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.581 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 0.0 OUTLIER -130.57 145.99 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' B' ' 4' ' ' ILE . 54.9 tp -116.69 154.97 29.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.8 -30.81 10.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 91.48 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 37.1 mt-10 -49.0 -41.36 34.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -53.71 -36.98 62.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.45 -14.19 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' C ' HG22 ' A' ' 48' ' ' VAL . . . -52.89 -27.25 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.75 -52.63 8.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HD2' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -59.01 -35.47 73.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.69 HG12 HG11 ' B' ' 25' ' ' VAL . 31.8 m -73.9 -40.66 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.439 ' N ' HG23 ' A' ' 48' ' ' VAL . 1.5 mtt180 -59.59 -43.24 93.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.45 -57.36 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -56.08 -39.66 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 HG21 ' B' ' 5' ' ' THR . 10.5 tt -62.35 -51.76 66.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.93 -30.84 68.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -78.39 -29.19 47.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.667 ' CD2' HD23 ' A' ' 62' ' ' LEU . 6.5 t80 -82.38 -39.53 22.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.582 HD21 ' CE1' ' B' ' 7' ' ' PHE . 7.6 mt -56.03 -40.03 72.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -77.66 -2.27 35.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -114.09 72.24 2.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.7 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.671 2.248 . . . . 0.0 112.318 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.26 -53.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.96 -53.29 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 63' ' ' GLU . 2.5 pp -51.14 -29.02 12.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.677 ' N ' HD12 ' A' ' 62' ' ' LEU . 2.1 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.786 0.326 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tt -119.95 120.54 36.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 122.98 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.636 HG13 HD11 ' B' ' 27' ' ' LEU . 29.0 mm -83.82 -46.38 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.752 HG21 HD11 ' A' ' 52' ' ' LEU . 7.5 t -175.4 -177.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -134.6 128.12 32.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.582 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.4 m-85 -117.79 170.49 8.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.8 34.43 4.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -160.82 141.22 8.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -47.75 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.0 64.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -68.35 -55.21 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.8 -58.84 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.26 -47.67 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.45 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.76 -60.03 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.703 HG12 ' HB3' ' B' ' 27' ' ' LEU . 32.8 m -59.31 -23.81 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.46 -59.63 2.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -26.6 68.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.516 ' SD ' HG12 ' A' ' 48' ' ' VAL . 1.1 mmt -74.44 -45.3 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.01 98.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -69.07 -12.57 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -98.04 -3.68 37.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.69 17.26 21.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.69 HG11 HG12 ' A' ' 48' ' ' VAL . 64.0 t -127.52 112.07 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.52 ' O ' HD22 ' B' ' 27' ' ' LEU . 49.0 mm -84.73 127.07 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.703 ' HB3' HG12 ' B' ' 17' ' ' VAL . 1.1 mm? -123.62 163.03 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -127.08 148.38 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.667 ' CD1' HG22 ' A' ' 37' ' ' VAL . 43.2 mm -124.76 145.94 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -124.67 103.46 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -83.85 100.69 11.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -51.28 159.19 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -149.0 42.69 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -86.76 125.97 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.24 102.7 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -85.68 125.45 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.733 HG22 ' CD1' ' A' ' 29' ' ' ILE . 5.2 t -99.36 123.38 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -130.79 144.86 51.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.451 ' HB3' HD11 ' A' ' 4' ' ' ILE . 56.8 tp -115.9 154.23 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.411 ' HA ' ' HE3' ' A' ' 1' ' ' MET . . . -102.62 -30.85 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.28 90.32 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -49.49 -39.93 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -53.52 -36.43 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.413 ' O ' HG22 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -87.6 -14.35 40.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.419 ' C ' HG22 ' B' ' 48' ' ' VAL . . . -52.01 -26.62 11.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -78.57 -53.7 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.533 ' HD2' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -57.91 -35.45 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.729 ' CG1' HG11 ' A' ' 25' ' ' VAL . 34.0 m -73.84 -41.35 53.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.448 ' N ' HG23 ' B' ' 48' ' ' VAL . 0.9 OUTLIER -58.56 -43.0 89.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.49 -56.88 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.79 -38.65 72.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.753 HD11 HG21 ' A' ' 5' ' ' THR . 10.5 tt -62.81 -52.44 63.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -30.24 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -78.8 -28.44 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.713 ' CD2' HD23 ' B' ' 62' ' ' LEU . 6.4 t80 -82.33 -37.27 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.54 HD12 HD23 ' B' ' 52' ' ' LEU . 3.8 mt -56.3 -40.34 74.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.77 -2.31 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -114.18 72.1 2.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.413 ' HA ' HD11 ' B' ' 62' ' ' LEU . 53.9 Cg_endo -69.74 96.34 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -149.76 -56.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.69 -53.13 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.713 HD23 ' CD2' ' B' ' 55' ' ' PHE . 2.2 pp -49.46 -30.21 7.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.666 ' N ' HD12 ' B' ' 62' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 stop_ save_