data_2mz2_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 2mz2 _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 ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.744 0.307 . . . . 74.41 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -18.99 61.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.855 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.24 -17.82 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 71.24 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -74.94 -15.84 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -74.83 -16.53 60.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.83 -23.54 59.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.113 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -78.42 -26.47 46.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.914 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -17.48 61.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 73.21 110.855 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.14 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 65.12 110.867 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -85.45 162.51 48.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 74.44 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -5.55 17.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.637 2.225 . . . . 73.21 112.361 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -2.98 54.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.891 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 71.53 110.858 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 75.4 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -20.49 38.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 65.42 110.863 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -18.91 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -74.96 -16.48 60.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -14.62 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.841 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -7.03 52.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 65.41 111.081 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -26.74 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.15 110.852 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -13.96 55.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 t -73.89 -22.48 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -22.47 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.86 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.76 162.52 47.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 74.25 110.88 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -11.88 23.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 62.44 112.352 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.83 -179.823 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 72.24 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -19.74 61.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.23 110.87 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -18.59 62.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.944 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 mtm-85 -74.93 -17.03 60.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -73.64 -16.32 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.821 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.85 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 71.32 111.093 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -30.98 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.1 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -78.15 -32.8 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -23.89 58.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.858 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.0 ttm -74.03 -27.6 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.924 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.79 162.5 55.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.738 . . . . 73.01 110.884 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.87 -6.28 18.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.656 2.238 . . . . 74.23 112.345 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -14.38 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.857 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 75.1 110.834 -179.778 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.5 pttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.758 0.313 . . . . 74.3 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -20.52 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.84 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -18.3 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -74.95 -14.93 60.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -72.66 -15.35 61.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.52 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.082 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -28.13 69.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.874 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.86 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 74.24 110.85 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -32.69 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.15 110.884 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -10.61 59.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 73.33 110.873 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.49 162.56 47.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.662 0.744 . . . . 63.3 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.92 -10.96 23.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 64.4 112.36 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.66 -4.04 47.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.86 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 53.33 110.865 -179.822 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.836 0.35 . . . . 70.14 110.926 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -19.35 59.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.81 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.935 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.6 -14.96 60.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.854 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -74.92 -15.87 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -7.15 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -74.9 -21.5 59.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.884 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -30.34 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.826 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttp -70.45 -17.61 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.84 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.92 162.51 62.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 75.41 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 -6.24 18.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 74.12 112.357 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -13.73 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.839 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.847 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 73.32 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -19.22 58.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.868 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -20.39 58.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -74.66 -20.1 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -16.53 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.843 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -11.62 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.088 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.33 -12.31 61.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -86.26 -25.73 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 t -60.03 -27.32 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.63 -27.43 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.889 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -77.54 162.56 68.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 74.53 110.893 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.96 -12.65 23.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 54.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -9.43 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.45 110.852 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.35 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.816 0.341 . . . . 75.25 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -19.55 26.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.52 -20.1 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -17.39 60.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.887 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -74.28 -15.61 60.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.33 -17.4 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 72.13 111.146 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -31.6 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.887 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -74.95 -32.25 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -21.17 66.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.841 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 ttt -74.22 -26.08 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -88.87 162.46 38.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 74.24 110.899 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.82 -7.24 19.81 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.694 2.263 . . . . 71.13 112.388 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -70.86 -21.46 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.861 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.833 -179.823 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.767 0.317 . . . . 75.44 110.901 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -20.15 56.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 55.51 110.89 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.87 -19.55 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 75.52 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -16.3 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.852 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 m170 -73.46 -16.28 61.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.844 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -18.76 60.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.13 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -22.4 60.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -19.68 28.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.5 110.832 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -21.55 59.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.862 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -14.99 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.5 110.844 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.8 162.52 71.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 75.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -8.73 21.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.694 2.263 . . . . 75.21 112.315 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -19.52 45.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.842 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.822 -179.824 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.794 0.331 . . . . 73.22 110.933 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -19.54 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.31 110.874 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.73 -19.21 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.926 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -74.42 -16.18 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 74.41 110.869 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -73.95 -16.46 61.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 75.52 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.82 -14.36 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.11 111.088 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.15 -26.87 68.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 72.51 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -83.59 -22.39 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.915 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.2 t -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 65.53 110.824 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -13.8 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 75.51 110.886 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.85 162.52 35.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 73.24 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -13.15 24.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 75.11 112.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 p -70.41 -23.19 62.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.863 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.851 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.775 0.321 . . . . 65.43 110.913 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -20.05 62.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 72.53 110.844 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.01 -18.93 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 63.52 110.941 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -74.91 -16.74 60.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.86 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -74.83 -16.67 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 64.14 110.871 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.77 -19.44 60.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 71.11 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -33.02 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -88.99 -31.08 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 70.54 110.897 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 p -74.78 -19.23 60.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 54.32 110.826 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 ttm -74.87 -10.29 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.76 162.53 35.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.681 0.753 . . . . 75.31 110.827 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.9 -12.1 23.85 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.708 2.272 . . . . 73.02 112.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -32.53 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 73.45 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 71.14 110.87 -179.823 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.8 0.334 . . . . 70.35 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -20.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -18.82 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.05 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -14.77 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.885 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.23 -15.34 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -13.06 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 62.02 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -60.69 -20.63 61.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -88.99 -32.58 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.842 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 p -74.37 -28.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.865 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.4 ttt -60.95 -26.11 67.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.861 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -73.19 162.51 74.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 72.04 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -11.14 23.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 75.11 112.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -71.44 -10.8 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.41 110.795 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.84 -179.761 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 64.22 110.925 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -19.78 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.879 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.43 -19.06 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 64.21 110.905 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -16.38 60.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -70.07 -16.67 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.865 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.91 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.14 111.143 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.82 -21.72 66.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.891 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -32.47 19.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 73.45 110.873 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.23 -28.89 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.851 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtt -74.25 -16.76 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -74.05 162.48 73.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 74.21 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 -25.02 14.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 70.23 112.329 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -11.91 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.829 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.1 110.882 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 tptt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 72.42 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -19.77 37.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 71.05 110.863 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -17.97 63.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.868 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -74.86 -14.33 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.33 -14.89 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.855 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -12.31 60.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 75.32 111.087 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -21.46 59.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 75.52 110.857 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -80.97 -19.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.845 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.6 t -72.54 -25.76 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.882 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -13.14 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 64.31 110.847 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -85.93 162.45 46.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 74.11 110.902 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -24.37 15.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 74.05 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 t -70.04 -12.48 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.888 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.51 110.837 -179.8 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.771 0.32 . . . . 75.15 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -18.87 34.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 70.43 110.819 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -18.26 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 65.02 110.909 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.92 -17.38 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.852 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -74.93 -16.01 60.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 71.33 110.89 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -21.53 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 74.31 111.113 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.65 -22.73 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 71.13 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.8 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 73.03 110.859 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -24.13 58.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -25.71 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.89 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -82.42 162.53 55.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 65.34 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.84 -10.67 23.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 74.31 112.394 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -70.64 -16.82 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.807 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.892 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.836 0.35 . . . . 73.34 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -19.28 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -18.64 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 72.33 110.877 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.06 -16.24 60.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.828 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -72.65 -16.36 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.843 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.03 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 74.11 111.109 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.56 -27.82 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 70.15 110.923 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.4 -32.84 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.54 110.849 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.7 t -74.99 -16.21 60.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.862 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtp -75.04 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 70.34 110.881 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -88.54 162.52 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 72.34 110.874 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -73.9 -23.62 16.16 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.761 2.307 . . . . 74.42 112.348 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -11.49 60.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 75.51 110.868 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 75.54 110.874 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.759 0.314 . . . . 73.53 110.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -19.55 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 70.41 110.851 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -19.16 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -74.65 -16.34 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -16.54 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.854 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -19.3 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.69 -29.82 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.847 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -32.34 32.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.861 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 -21.08 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.56 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.844 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.6 162.47 60.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.684 0.754 . . . . 71.25 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -74.48 -10.78 22.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 65.31 112.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.9 m -70.31 -26.35 63.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 72.44 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 74.51 110.848 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.755 0.312 . . . . 75.21 110.892 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -19.81 42.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.867 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -19.27 61.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -17.85 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -16.21 60.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 -12.96 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.24 111.102 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.33 -19.72 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.35 110.874 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -86.23 -16.8 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.9 t -70.25 -24.18 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ttm -74.95 -20.52 59.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 72.52 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.88 162.49 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 75.32 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.7 -14.13 21.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 75.14 112.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -11.34 60.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 75.52 110.908 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 73.15 110.835 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 63.15 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -19.63 61.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.853 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.45 -20.15 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -74.98 -20.35 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.85 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -74.93 -16.66 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.827 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -17.35 63.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 65.32 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -22.79 66.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.55 110.844 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -32.09 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 t -74.79 -16.57 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.42 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.4 mtt -73.91 -24.07 59.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 71.33 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -76.16 162.28 72.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 75.52 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -78.36 -20.17 11.26 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 2.267 . . . . 72.53 112.358 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -32.89 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.31 110.866 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.877 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.746 0.307 . . . . 74.43 110.854 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.59 -19.7 48.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 64.3 110.868 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -19.47 61.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 71.1 110.949 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -16.74 60.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -72.85 -16.4 61.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.831 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.3 -13.17 60.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 61.52 111.099 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -66.86 -26.34 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 75.1 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -27.42 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.824 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -28.94 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.54 110.844 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mtt -60.37 -22.77 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 73.04 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.3 162.27 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 74.01 110.917 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.41 -16.18 13.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 73.31 112.358 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -11.36 60.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 74.03 110.926 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 73.15 110.858 -179.872 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.794 0.331 . . . . 73.43 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -19.63 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.855 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.52 -18.08 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.903 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.97 -15.52 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.844 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -71.6 -16.64 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 -21.09 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 44.34 111.104 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.15 -25.95 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -84.56 -30.67 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.887 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -66.11 -21.96 66.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.877 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.6 ttt -72.25 -19.88 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 74.51 110.881 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -78.68 162.31 65.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.64 0.734 . . . . 74.25 110.883 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -78.45 -6.66 15.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 73.03 112.354 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -32.85 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.844 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 72.34 110.872 -179.787 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 119.324 -0.369 . . . . 74.42 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -80.0 -10.82 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.537 -1.21 . . . . 74.41 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -18.99 61.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.855 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.24 -17.82 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 71.24 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -74.94 -15.84 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -74.83 -16.53 60.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.83 -23.54 59.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.113 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -78.42 -26.47 46.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.914 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -17.48 61.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 73.21 110.855 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.14 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 65.12 110.867 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -85.45 162.51 48.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 74.44 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -5.55 17.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.637 2.225 . . . . 73.21 112.361 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -2.98 54.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.891 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -77.32 -25.27 51.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 71.53 110.858 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 52.34 110.867 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 119.267 -0.397 . . . . 74.44 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -16.01 60.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.544 -1.207 . . . . 75.4 110.897 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -20.49 38.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 65.42 110.863 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -18.91 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -74.96 -16.48 60.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -14.62 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.841 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -7.03 52.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 65.41 111.081 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -26.74 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.15 110.852 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -13.96 55.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 t -73.89 -22.48 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -22.47 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.86 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.76 162.52 47.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 74.25 110.88 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -11.88 23.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 62.44 112.352 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -80.47 -14.7 58.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.83 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 70.11 110.844 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 119.323 -0.37 . . . . 72.21 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -6.09 59.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.535 -1.211 . . . . 72.24 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -19.74 61.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.23 110.87 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -18.59 62.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.944 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 mtm-85 -74.93 -17.03 60.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -73.64 -16.32 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.821 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.85 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 71.32 111.093 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -30.98 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.1 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -78.15 -32.8 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -23.89 58.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.858 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.0 ttm -74.03 -27.6 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.924 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.79 162.5 55.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.738 . . . . 73.01 110.884 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.87 -6.28 18.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.656 2.238 . . . . 74.23 112.345 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -14.38 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.857 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -78.3 -18.3 55.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 75.1 110.834 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.872 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 119.262 -0.399 . . . . 74.24 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -75.42 -27.54 59.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.583 -1.189 . . . . 74.3 110.865 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -20.52 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.84 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -18.3 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -74.95 -14.93 60.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -72.66 -15.35 61.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.52 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.082 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -28.13 69.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.874 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.86 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 74.24 110.85 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -32.69 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 74.15 110.884 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -10.61 59.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 73.33 110.873 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.49 162.56 47.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.662 0.744 . . . . 63.3 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.92 -10.96 23.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 64.4 112.36 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.66 -4.04 47.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.86 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -82.47 -21.32 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 53.33 110.865 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 54.35 110.898 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 119.311 -0.376 . . . . 65.22 110.838 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -29.93 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.567 -1.197 . . . . 70.14 110.926 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -19.35 59.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.81 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.935 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.6 -14.96 60.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.854 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -74.92 -15.87 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -7.15 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -74.9 -21.5 59.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.884 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -30.34 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.3 110.826 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttp -70.45 -17.61 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.84 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.92 162.51 62.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 75.41 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 -6.24 18.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 74.12 112.357 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -13.73 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.13 110.839 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t -83.71 -24.56 31.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.847 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 72.32 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 119.342 -0.361 . . . . 75.32 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -27.73 61.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.528 -1.214 . . . . 73.32 110.863 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -19.22 58.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.868 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -20.39 58.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -74.66 -20.1 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -16.53 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 72.1 110.843 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -11.62 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.088 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.33 -12.31 61.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -86.26 -25.73 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 t -60.03 -27.32 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.63 -27.43 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.889 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -77.54 162.56 68.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 74.53 110.893 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.96 -12.65 23.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 54.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -9.43 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.45 110.852 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -32.51 63.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.35 110.869 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 72.14 110.867 -179.89 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 119.273 -0.394 . . . . 74.33 110.846 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -9.13 56.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.51 -1.223 . . . . 75.25 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -19.55 26.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.52 -20.1 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -17.39 60.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.887 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -74.28 -15.61 60.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.33 -17.4 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 72.13 111.146 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -31.6 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.887 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -74.95 -32.25 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -21.17 66.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.841 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 ttt -74.22 -26.08 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -88.87 162.46 38.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 74.24 110.899 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.82 -7.24 19.81 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.694 2.263 . . . . 71.13 112.388 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -70.86 -21.46 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.861 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m -88.01 -10.59 49.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.833 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 74.31 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 119.304 -0.379 . . . . 74.14 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -10.9 60.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.565 -1.198 . . . . 75.44 110.901 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -20.15 56.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 55.51 110.89 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.87 -19.55 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 75.52 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -16.3 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.852 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 m170 -73.46 -16.28 61.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.844 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -18.76 60.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.13 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -22.4 60.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -19.68 28.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.5 110.832 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -21.55 59.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.862 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -14.99 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.5 110.844 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.8 162.52 71.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 75.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -8.73 21.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.694 2.263 . . . . 75.21 112.315 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -19.52 45.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.842 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.6 t -85.02 -31.61 23.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.822 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.868 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 119.336 -0.364 . . . . 74.53 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.05 -6.26 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.489 -1.232 . . . . 73.22 110.933 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -19.54 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.31 110.874 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.73 -19.21 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.926 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -74.42 -16.18 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 74.41 110.869 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -73.95 -16.46 61.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 75.52 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.82 -14.36 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.11 111.088 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.15 -26.87 68.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 72.51 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -83.59 -22.39 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.915 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.2 t -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 65.53 110.824 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -13.8 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 75.51 110.886 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.85 162.52 35.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 73.24 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -13.15 24.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 75.11 112.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 p -70.41 -23.19 62.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.863 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 t -82.73 -24.57 33.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.851 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 74.34 110.913 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 119.279 -0.391 . . . . 71.31 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -31.48 32.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.58 -1.191 . . . . 65.43 110.913 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -20.05 62.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 72.53 110.844 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.01 -18.93 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 63.52 110.941 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -74.91 -16.74 60.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.86 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -74.83 -16.67 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 64.14 110.871 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.77 -19.44 60.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 71.11 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -33.02 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -88.99 -31.08 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 70.54 110.897 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 p -74.78 -19.23 60.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 54.32 110.826 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 ttm -74.87 -10.29 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.76 162.53 35.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.681 0.753 . . . . 75.31 110.827 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.9 -12.1 23.85 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.708 2.272 . . . . 73.02 112.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -32.53 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 73.45 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 t -89.2 -32.81 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 71.14 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.826 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 119.294 -0.384 . . . . 73.05 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -73.59 -25.19 60.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.509 -1.223 . . . . 70.35 110.905 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -20.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -18.82 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.05 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -14.77 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.885 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.23 -15.34 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -13.06 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 62.02 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -60.69 -20.63 61.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -88.99 -32.58 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.842 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 p -74.37 -28.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.865 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.4 ttt -60.95 -26.11 67.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.861 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -73.19 162.51 74.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 72.04 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -11.14 23.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 75.11 112.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -71.44 -10.8 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.41 110.795 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -70.42 -27.74 64.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.84 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.866 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 119.293 -0.384 . . . . 74.43 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -4.97 59.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.552 -1.203 . . . . 64.22 110.925 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -19.78 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.879 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.43 -19.06 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 64.21 110.905 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -16.38 60.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -70.07 -16.67 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.865 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.91 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.14 111.143 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.82 -21.72 66.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.891 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -32.47 19.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 73.45 110.873 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.23 -28.89 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.851 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtt -74.25 -16.76 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -74.05 162.48 73.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 74.21 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 -25.02 14.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 70.23 112.329 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -11.91 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 74.02 110.829 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t -81.57 -9.51 59.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.1 110.882 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.928 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 119.284 -0.389 . . . . 75.14 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -85.86 -3.75 58.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.54 -1.209 . . . . 72.42 110.915 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -19.77 37.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 71.05 110.863 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -17.97 63.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.868 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -74.86 -14.33 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.33 -14.89 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.855 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -12.31 60.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 75.32 111.087 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -21.46 59.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 75.52 110.857 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -80.97 -19.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.845 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.6 t -72.54 -25.76 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.882 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -13.14 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 64.31 110.847 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -85.93 162.45 46.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 74.11 110.902 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -24.37 15.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 74.05 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 t -70.04 -12.48 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.888 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t -71.07 -31.06 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.51 110.837 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 72.32 110.939 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 119.283 -0.389 . . . . 74.25 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -70.87 -31.36 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.5 -1.227 . . . . 75.15 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -18.87 34.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 70.43 110.819 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -18.26 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 65.02 110.909 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.92 -17.38 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.852 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -74.93 -16.01 60.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 71.33 110.89 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -21.53 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 74.31 111.113 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.65 -22.73 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 71.13 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.8 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 73.03 110.859 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -24.13 58.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -25.71 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.89 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -82.42 162.53 55.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 65.34 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.84 -10.67 23.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 74.31 112.394 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -70.64 -16.82 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.807 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -24.35 26.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.892 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 74.02 110.88 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 119.267 -0.397 . . . . 75.51 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -17.21 56.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.523 -1.217 . . . . 73.34 110.922 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -19.28 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -18.64 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 72.33 110.877 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.06 -16.24 60.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.828 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -72.65 -16.36 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.843 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.03 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 74.11 111.109 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.56 -27.82 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 70.15 110.923 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.4 -32.84 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.54 110.849 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.7 t -74.99 -16.21 60.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.862 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtp -75.04 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 70.34 110.881 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -88.54 162.52 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 72.34 110.874 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -73.9 -23.62 16.16 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.761 2.307 . . . . 74.42 112.348 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -11.49 60.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 75.51 110.868 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -32.43 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 75.54 110.874 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 74.22 110.886 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 119.294 -0.384 . . . . 73.22 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -88.19 -18.73 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.538 -1.21 . . . . 73.53 110.835 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -19.55 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 70.41 110.851 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -19.16 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -74.65 -16.34 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -16.54 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.854 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -19.3 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.69 -29.82 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.847 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -32.34 32.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.861 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 -21.08 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.56 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.844 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.6 162.47 60.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.684 0.754 . . . . 71.25 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -74.48 -10.78 22.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 65.31 112.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.9 m -70.31 -26.35 63.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 72.44 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -70.49 -27.15 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 74.51 110.848 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.01 110.907 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 119.289 -0.386 . . . . 73.24 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -29.07 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.576 -1.193 . . . . 75.21 110.892 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -19.81 42.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.867 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -19.27 61.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -17.85 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -16.21 60.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 -12.96 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.24 111.102 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.33 -19.72 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.35 110.874 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -86.23 -16.8 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.9 t -70.25 -24.18 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ttm -74.95 -20.52 59.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 72.52 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.88 162.49 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 75.32 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.7 -14.13 21.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 75.14 112.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -11.34 60.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 75.52 110.908 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.74 -32.54 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 73.15 110.835 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 74.23 110.864 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 119.296 -0.383 . . . . 72.22 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -81.11 -29.14 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.522 -1.217 . . . . 63.15 110.897 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -19.63 61.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.853 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.45 -20.15 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -74.98 -20.35 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.85 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -74.93 -16.66 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.827 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -17.35 63.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 65.32 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -22.79 66.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.55 110.844 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -32.09 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 t -74.79 -16.57 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.42 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.4 mtt -73.91 -24.07 59.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 71.33 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -76.16 162.28 72.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 75.52 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -78.36 -20.17 11.26 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 2.267 . . . . 72.53 112.358 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -32.89 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.31 110.866 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -24.34 60.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.877 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.896 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 119.314 -0.374 . . . . 63.51 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -26.74 23.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.514 -1.221 . . . . 74.43 110.854 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.59 -19.7 48.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 64.3 110.868 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -19.47 61.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 71.1 110.949 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -16.74 60.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -72.85 -16.4 61.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.831 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.3 -13.17 60.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 61.52 111.099 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -66.86 -26.34 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 75.1 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -27.42 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.824 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -28.94 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.54 110.844 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mtt -60.37 -22.77 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 73.04 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.3 162.27 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 74.01 110.917 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.41 -16.18 13.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 73.31 112.358 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -11.36 60.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 74.03 110.926 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -76.68 -20.22 56.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 73.15 110.858 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.89 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 119.322 -0.371 . . . . 75.51 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -84.88 -14.77 46.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.523 -1.217 . . . . 73.43 110.918 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -19.63 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.855 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.52 -18.08 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.903 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.97 -15.52 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.844 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -71.6 -16.64 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 -21.09 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 44.34 111.104 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.15 -25.95 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -84.56 -30.67 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.887 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -66.11 -21.96 66.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.877 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.6 ttt -72.25 -19.88 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 74.51 110.881 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -78.68 162.31 65.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.64 0.734 . . . . 74.25 110.883 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -78.45 -6.66 15.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 73.03 112.354 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -32.85 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.844 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 t -85.84 -12.7 50.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 72.34 110.872 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 61.11 110.843 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.744 0.307 . . . . 73.23 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -18.99 61.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.855 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.24 -17.82 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 44.3 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -74.94 -15.84 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 64.13 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -74.83 -16.53 60.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.83 -23.54 59.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.113 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 63.35 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -78.42 -26.47 46.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.914 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -17.48 61.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 52.21 110.855 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.14 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 42.35 110.867 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -85.45 162.51 48.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 71.23 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -5.55 17.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.637 2.225 . . . . 70.53 112.361 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -2.98 54.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.891 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 55.14 110.858 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 75.4 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -20.49 38.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 52.51 110.863 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -18.91 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -74.96 -16.48 60.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 70.31 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -14.62 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.841 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -7.03 52.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 52.33 111.081 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -26.74 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.15 110.852 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -13.96 55.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 t -73.89 -22.48 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.44 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -22.47 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.86 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.76 162.52 47.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 74.25 110.88 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -11.88 23.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 60.41 112.352 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 62.22 110.83 -179.823 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 72.24 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -19.74 61.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.23 110.87 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -18.59 62.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 63.24 110.944 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 mtm-85 -74.93 -17.03 60.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -73.64 -16.32 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.821 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.85 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.44 111.093 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -30.98 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.1 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -78.15 -32.8 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -23.89 58.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 62.53 110.858 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.0 ttm -74.03 -27.6 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.924 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.79 162.5 55.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.738 . . . . 73.01 110.884 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.87 -6.28 18.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.656 2.238 . . . . 74.23 112.345 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -14.38 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.857 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 52.42 110.834 -179.778 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.5 pttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.758 0.313 . . . . 62.1 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -20.52 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 64.44 110.84 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -18.3 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -74.95 -14.93 60.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 63.44 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -72.66 -15.35 61.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 61.42 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.52 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.082 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -28.13 69.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.874 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.86 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 74.24 110.85 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -32.69 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.884 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -10.61 59.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 72.45 110.873 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.49 162.56 47.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.662 0.744 . . . . 62.32 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.92 -10.96 23.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 63.33 112.36 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.66 -4.04 47.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.02 110.86 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 51.14 110.865 -179.822 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.836 0.35 . . . . 64.44 110.926 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -19.35 59.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.81 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.935 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.6 -14.96 60.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.854 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -74.92 -15.87 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -7.15 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -74.9 -21.5 59.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.884 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -30.34 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 33.4 110.826 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttp -70.45 -17.61 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.84 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.92 162.51 62.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 75.41 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 -6.24 18.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 74.12 112.357 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -13.73 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 53.34 110.839 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.847 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 73.32 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -19.22 58.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.868 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -20.39 58.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.15 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -74.66 -20.1 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -16.53 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 71.24 110.843 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -11.62 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.088 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.33 -12.31 61.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -86.26 -25.73 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 t -60.03 -27.32 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.63 -27.43 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.889 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -77.54 162.56 68.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 74.24 110.893 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.96 -12.65 23.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 54.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -9.43 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.45 110.852 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.816 0.341 . . . . 65.32 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -19.55 26.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.52 -20.1 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -17.39 60.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.05 110.887 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -74.28 -15.61 60.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.33 -17.4 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 42.15 111.146 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -31.6 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.887 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -74.95 -32.25 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -21.17 66.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.841 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 ttt -74.22 -26.08 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -88.87 162.46 38.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 74.24 110.899 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.82 -7.24 19.81 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.694 2.263 . . . . 71.13 112.388 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -70.86 -21.46 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.861 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 70.2 110.833 -179.823 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.767 0.317 . . . . 75.44 110.901 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -20.15 56.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 43.03 110.89 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.87 -19.55 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -16.3 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.852 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 m170 -73.46 -16.28 61.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.844 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -18.76 60.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.13 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -22.4 60.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -19.68 28.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 71.45 110.832 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -21.55 59.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 53.13 110.862 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -14.99 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.844 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.8 162.52 71.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 74.11 110.88 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -8.73 21.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.694 2.263 . . . . 75.21 112.315 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -19.52 45.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.842 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.822 -179.824 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.794 0.331 . . . . 63.12 110.933 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -19.54 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.31 110.874 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.73 -19.21 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.926 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -74.42 -16.18 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.869 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -73.95 -16.46 61.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 75.52 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.82 -14.36 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.11 111.088 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.15 -26.87 68.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 63.35 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -83.59 -22.39 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.915 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.2 t -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 65.52 110.824 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -13.8 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.886 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.85 162.52 35.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 71.33 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -13.15 24.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 75.11 112.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 p -70.41 -23.19 62.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.863 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 64.44 110.851 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.775 0.321 . . . . 53.43 110.913 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -20.05 62.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 72.53 110.844 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.01 -18.93 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 62.15 110.941 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -74.91 -16.74 60.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.86 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -74.83 -16.67 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 64.14 110.871 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.77 -19.44 60.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 41.1 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -33.02 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -88.99 -31.08 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 54.43 110.897 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 p -74.78 -19.23 60.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 54.32 110.826 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 ttm -74.87 -10.29 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.76 162.53 35.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.681 0.753 . . . . 75.31 110.827 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.9 -12.1 23.85 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.708 2.272 . . . . 54.42 112.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -32.53 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 65.41 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 71.04 110.87 -179.823 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.8 0.334 . . . . 70.35 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -20.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -18.82 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 42.31 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -14.77 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.885 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.23 -15.34 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -13.06 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 62.01 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -60.69 -20.63 61.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -88.99 -32.58 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.842 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 p -74.37 -28.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 70.22 110.865 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.4 ttt -60.95 -26.11 67.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.861 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -73.19 162.51 74.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 72.03 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -11.14 23.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 75.11 112.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -71.44 -10.8 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.41 110.795 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.84 -179.761 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 63.32 110.925 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -19.78 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.879 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.43 -19.06 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 54.02 110.905 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -16.38 60.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -70.07 -16.67 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.865 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.91 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 60.43 111.143 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.82 -21.72 66.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.891 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -32.47 19.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 73.45 110.873 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.23 -28.89 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.851 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtt -74.25 -16.76 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 71.14 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -74.05 162.48 73.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 74.21 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 -25.02 14.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 50.43 112.329 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -11.91 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.829 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 44.42 110.882 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 tptt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 72.31 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -19.77 37.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 61.15 110.863 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -17.97 63.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.868 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -74.86 -14.33 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.33 -14.89 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.855 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -12.31 60.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 73.34 111.087 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -21.46 59.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 42.24 110.857 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -80.97 -19.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.845 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.6 t -72.54 -25.76 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.882 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -13.14 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 54.33 110.847 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -85.93 162.45 46.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 74.01 110.902 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -24.37 15.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 74.05 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 t -70.04 -12.48 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 60.31 110.888 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.837 -179.8 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.771 0.32 . . . . 75.15 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -18.87 34.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 70.12 110.819 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -18.26 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.909 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.92 -17.38 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.852 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -74.93 -16.01 60.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 71.33 110.89 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -21.53 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.13 111.113 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.65 -22.73 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 62.23 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.8 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.859 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -24.13 58.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -25.71 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.89 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -82.42 162.53 55.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 65.34 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.84 -10.67 23.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 74.31 112.394 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -70.64 -16.82 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.807 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.892 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.836 0.35 . . . . 55.42 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -19.28 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -18.64 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 64.15 110.877 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.06 -16.24 60.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.828 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -72.65 -16.36 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.843 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.03 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 74.11 111.109 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.56 -27.82 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 70.15 110.923 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.4 -32.84 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.54 110.849 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.7 t -74.99 -16.21 60.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 41.25 110.862 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtp -75.04 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 54.21 110.881 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -88.54 162.52 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 71.34 110.874 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -73.9 -23.62 16.16 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.761 2.307 . . . . 74.42 112.348 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -11.49 60.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 74.04 110.868 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 62.33 110.874 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.759 0.314 . . . . 70.44 110.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -19.55 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 70.41 110.851 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -19.16 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -74.65 -16.34 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -16.54 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 62.33 110.854 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -19.3 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.69 -29.82 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.41 110.847 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -32.34 32.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.861 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 -21.08 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.56 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.844 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.6 162.47 60.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.684 0.754 . . . . 55.34 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -74.48 -10.78 22.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 65.31 112.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.9 m -70.31 -26.35 63.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 74.51 110.848 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.755 0.312 . . . . 75.21 110.892 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -19.81 42.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.867 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -19.27 61.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.42 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -17.85 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -16.21 60.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 65.14 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 -12.96 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 71.55 111.102 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.33 -19.72 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.35 110.874 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -86.23 -16.8 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 55.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.9 t -70.25 -24.18 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ttm -74.95 -20.52 59.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 72.42 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.88 162.49 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 73.02 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.7 -14.13 21.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 75.14 112.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -11.34 60.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 75.52 110.908 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 72.33 110.835 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 54.33 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -19.63 61.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.853 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.45 -20.15 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.21 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -74.98 -20.35 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.24 110.85 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -74.93 -16.66 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.827 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -17.35 63.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 65.32 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -22.79 66.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.844 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -32.09 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 t -74.79 -16.57 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.42 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.4 mtt -73.91 -24.07 59.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 65.11 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -76.16 162.28 72.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 75.32 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -78.36 -20.17 11.26 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 2.267 . . . . 72.53 112.358 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -32.89 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.31 110.866 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.877 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.746 0.307 . . . . 74.43 110.854 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.59 -19.7 48.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 63.03 110.868 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -19.47 61.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.949 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -16.74 60.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -72.85 -16.4 61.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.831 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.3 -13.17 60.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 52.11 111.099 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -66.86 -26.34 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.11 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -27.42 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.824 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -28.94 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.54 110.844 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mtt -60.37 -22.77 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 53.15 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.3 162.27 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 74.01 110.917 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.41 -16.18 13.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 73.31 112.358 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -11.36 60.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.926 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 73.15 110.858 -179.872 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.794 0.331 . . . . 63.32 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -19.63 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.855 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.52 -18.08 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.903 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.97 -15.52 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -71.6 -16.64 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 -21.09 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 44.34 111.104 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.15 -25.95 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -84.56 -30.67 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.887 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -66.11 -21.96 66.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.877 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.6 ttt -72.25 -19.88 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.881 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -78.68 162.31 65.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.64 0.734 . . . . 63.04 110.883 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -78.45 -6.66 15.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 73.03 112.354 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -32.85 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.844 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 71.43 110.872 -179.787 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' HE ' ' H1 ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 119.324 -0.369 . . . . 74.42 110.863 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -80.0 -10.82 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.537 -1.21 . . . . 73.23 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -18.99 61.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.855 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.24 -17.82 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 44.3 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -74.94 -15.84 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 64.13 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -74.83 -16.53 60.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.83 -23.54 59.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.113 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 63.35 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -78.42 -26.47 46.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.914 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -17.48 61.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 52.21 110.855 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.14 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 42.35 110.867 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -85.45 162.51 48.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 71.23 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -5.55 17.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.637 2.225 . . . . 70.53 112.361 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -2.98 54.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.891 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -77.32 -25.27 51.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 55.14 110.858 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 52.34 110.867 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 119.267 -0.397 . . . . 74.44 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -16.01 60.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.544 -1.207 . . . . 75.4 110.897 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -20.49 38.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 52.51 110.863 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -18.91 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -74.96 -16.48 60.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 70.31 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -14.62 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.841 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -7.03 52.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 52.33 111.081 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -26.74 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.15 110.852 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -13.96 55.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 t -73.89 -22.48 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.44 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -22.47 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.86 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.76 162.52 47.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 74.25 110.88 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -11.88 23.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 60.41 112.352 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -80.47 -14.7 58.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 62.22 110.83 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 54.03 110.844 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 119.323 -0.37 . . . . 72.21 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -6.09 59.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.535 -1.211 . . . . 72.24 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -19.74 61.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.23 110.87 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -18.59 62.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 63.24 110.944 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 mtm-85 -74.93 -17.03 60.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -73.64 -16.32 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.821 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.85 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.44 111.093 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -30.98 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.1 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -78.15 -32.8 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -23.89 58.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 62.53 110.858 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.0 ttm -74.03 -27.6 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.924 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.79 162.5 55.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.738 . . . . 73.01 110.884 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.87 -6.28 18.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.656 2.238 . . . . 74.23 112.345 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -14.38 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.857 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -78.3 -18.3 55.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 52.42 110.834 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.872 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 119.262 -0.399 . . . . 74.24 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -75.42 -27.54 59.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.583 -1.189 . . . . 62.1 110.865 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -20.52 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 64.44 110.84 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -18.3 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -74.95 -14.93 60.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 63.44 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -72.66 -15.35 61.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 61.42 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.52 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.082 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -28.13 69.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.874 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.86 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 74.24 110.85 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -32.69 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.884 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -10.61 59.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 72.45 110.873 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.49 162.56 47.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.662 0.744 . . . . 62.32 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.92 -10.96 23.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 63.33 112.36 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.66 -4.04 47.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.02 110.86 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -82.47 -21.32 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 51.14 110.865 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 52.3 110.898 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 119.311 -0.376 . . . . 64.14 110.838 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -29.93 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.567 -1.197 . . . . 64.44 110.926 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -19.35 59.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.81 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.935 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.6 -14.96 60.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.854 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -74.92 -15.87 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -7.15 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -74.9 -21.5 59.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.884 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -30.34 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 33.4 110.826 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttp -70.45 -17.61 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.84 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.92 162.51 62.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 75.41 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 -6.24 18.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 74.12 112.357 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -13.73 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 53.34 110.839 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t -83.71 -24.56 31.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.847 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 72.24 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 119.342 -0.361 . . . . 75.32 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -27.73 61.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.528 -1.214 . . . . 73.32 110.863 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -19.22 58.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.868 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -20.39 58.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.15 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -74.66 -20.1 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -16.53 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 71.24 110.843 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -11.62 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.088 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.33 -12.31 61.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -86.26 -25.73 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 t -60.03 -27.32 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.63 -27.43 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.889 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -77.54 162.56 68.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 74.24 110.893 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.96 -12.65 23.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 54.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -9.43 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.45 110.852 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -32.51 63.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.869 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 63.53 110.867 -179.89 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 119.273 -0.394 . . . . 74.33 110.846 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -9.13 56.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.51 -1.223 . . . . 65.32 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -19.55 26.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.52 -20.1 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -17.39 60.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.05 110.887 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -74.28 -15.61 60.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.33 -17.4 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 42.15 111.146 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -31.6 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.887 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -74.95 -32.25 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -21.17 66.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.841 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 ttt -74.22 -26.08 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -88.87 162.46 38.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 74.24 110.899 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.82 -7.24 19.81 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.694 2.263 . . . . 71.13 112.388 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -70.86 -21.46 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.861 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m -88.01 -10.59 49.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 70.2 110.833 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 74.31 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 119.304 -0.379 . . . . 74.14 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -10.9 60.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.565 -1.198 . . . . 75.44 110.901 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -20.15 56.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 43.03 110.89 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.87 -19.55 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -16.3 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.852 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 m170 -73.46 -16.28 61.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.844 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -18.76 60.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.13 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -22.4 60.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -19.68 28.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 71.45 110.832 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -21.55 59.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 53.13 110.862 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -14.99 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.844 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.8 162.52 71.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 74.11 110.88 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -8.73 21.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.694 2.263 . . . . 75.21 112.315 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -19.52 45.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.842 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.6 t -85.02 -31.61 23.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.822 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.868 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 119.336 -0.364 . . . . 74.53 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.05 -6.26 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.489 -1.232 . . . . 63.12 110.933 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -19.54 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.31 110.874 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.73 -19.21 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.926 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -74.42 -16.18 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.869 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -73.95 -16.46 61.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 75.52 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.82 -14.36 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.11 111.088 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.15 -26.87 68.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 63.35 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -83.59 -22.39 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.915 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.2 t -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 65.52 110.824 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -13.8 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.886 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.85 162.52 35.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 71.33 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -13.15 24.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 75.11 112.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 p -70.41 -23.19 62.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.863 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 t -82.73 -24.57 33.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 64.44 110.851 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 74.34 110.913 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 119.279 -0.391 . . . . 71.31 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -31.48 32.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.58 -1.191 . . . . 53.43 110.913 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -20.05 62.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 72.53 110.844 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.01 -18.93 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 62.15 110.941 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -74.91 -16.74 60.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.86 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -74.83 -16.67 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 64.14 110.871 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.77 -19.44 60.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 41.1 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -33.02 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -88.99 -31.08 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 54.43 110.897 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 p -74.78 -19.23 60.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 54.32 110.826 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 ttm -74.87 -10.29 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.76 162.53 35.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.681 0.753 . . . . 75.31 110.827 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.9 -12.1 23.85 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.708 2.272 . . . . 54.42 112.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -32.53 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 65.41 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 t -89.2 -32.81 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 71.04 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.826 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 119.294 -0.384 . . . . 53.15 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -73.59 -25.19 60.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.509 -1.223 . . . . 70.35 110.905 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -20.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -18.82 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 42.31 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -14.77 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.885 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.23 -15.34 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -13.06 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 62.01 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -60.69 -20.63 61.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -88.99 -32.58 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.842 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 p -74.37 -28.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 70.22 110.865 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.4 ttt -60.95 -26.11 67.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.861 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -73.19 162.51 74.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 72.03 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -11.14 23.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 75.11 112.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -71.44 -10.8 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.41 110.795 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -70.42 -27.74 64.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.84 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 61.2 110.866 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 119.293 -0.384 . . . . 74.43 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -4.97 59.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.552 -1.203 . . . . 63.32 110.925 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -19.78 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.879 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.43 -19.06 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 54.02 110.905 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -16.38 60.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -70.07 -16.67 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.865 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.91 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 60.43 111.143 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.82 -21.72 66.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.891 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -32.47 19.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 73.45 110.873 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.23 -28.89 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.851 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtt -74.25 -16.76 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 71.14 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -74.05 162.48 73.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 74.21 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 -25.02 14.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 50.43 112.329 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -11.91 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.829 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t -81.57 -9.51 59.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 44.42 110.882 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.928 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 119.284 -0.389 . . . . 75.14 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -85.86 -3.75 58.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.54 -1.209 . . . . 72.31 110.915 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -19.77 37.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 61.15 110.863 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -17.97 63.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.868 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -74.86 -14.33 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.33 -14.89 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.855 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -12.31 60.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 73.34 111.087 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -21.46 59.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 42.24 110.857 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -80.97 -19.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.845 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.6 t -72.54 -25.76 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.882 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -13.14 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 54.33 110.847 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -85.93 162.45 46.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 74.01 110.902 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -24.37 15.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 74.05 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 t -70.04 -12.48 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 60.31 110.888 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t -71.07 -31.06 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.837 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.939 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 119.283 -0.389 . . . . 74.25 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -70.87 -31.36 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.5 -1.227 . . . . 75.15 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -18.87 34.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 70.12 110.819 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -18.26 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.909 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.92 -17.38 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.852 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -74.93 -16.01 60.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 71.33 110.89 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -21.53 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.13 111.113 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.65 -22.73 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 62.23 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.8 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.859 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -24.13 58.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -25.71 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.89 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -82.42 162.53 55.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 65.34 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.84 -10.67 23.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 74.31 112.394 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -70.64 -16.82 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.807 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -24.35 26.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.892 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 74.02 110.88 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 119.267 -0.397 . . . . 75.51 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -17.21 56.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.523 -1.217 . . . . 55.42 110.922 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -19.28 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -18.64 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 64.15 110.877 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.06 -16.24 60.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.828 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -72.65 -16.36 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.843 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.03 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 74.11 111.109 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.56 -27.82 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 70.15 110.923 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.4 -32.84 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.54 110.849 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.7 t -74.99 -16.21 60.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 41.25 110.862 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtp -75.04 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 54.21 110.881 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -88.54 162.52 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 71.34 110.874 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -73.9 -23.62 16.16 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.761 2.307 . . . . 74.42 112.348 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -11.49 60.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 74.04 110.868 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -32.43 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 62.33 110.874 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 74.22 110.886 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 119.294 -0.384 . . . . 72.25 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -88.19 -18.73 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.538 -1.21 . . . . 70.44 110.835 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -19.55 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 70.41 110.851 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -19.16 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -74.65 -16.34 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -16.54 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 62.33 110.854 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -19.3 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.69 -29.82 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.41 110.847 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -32.34 32.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.861 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 -21.08 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.56 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.844 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.6 162.47 60.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.684 0.754 . . . . 55.34 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -74.48 -10.78 22.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 65.31 112.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.9 m -70.31 -26.35 63.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -70.49 -27.15 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 74.51 110.848 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 72.12 110.907 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 119.289 -0.386 . . . . 73.24 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -29.07 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.576 -1.193 . . . . 75.21 110.892 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -19.81 42.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.867 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -19.27 61.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.42 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -17.85 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -16.21 60.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 65.14 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 -12.96 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 71.55 111.102 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.33 -19.72 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.35 110.874 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -86.23 -16.8 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 55.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.9 t -70.25 -24.18 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ttm -74.95 -20.52 59.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 72.42 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.88 162.49 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 73.02 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.7 -14.13 21.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 75.14 112.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -11.34 60.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 75.52 110.908 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.74 -32.54 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 72.33 110.835 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 74.12 110.864 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 119.296 -0.383 . . . . 70.15 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -81.11 -29.14 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.522 -1.217 . . . . 54.33 110.897 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -19.63 61.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.853 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.45 -20.15 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.21 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -74.98 -20.35 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.24 110.85 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -74.93 -16.66 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.827 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -17.35 63.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 65.32 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -22.79 66.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.844 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -32.09 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 t -74.79 -16.57 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.42 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.4 mtt -73.91 -24.07 59.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 65.11 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -76.16 162.28 72.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 75.32 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -78.36 -20.17 11.26 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 2.267 . . . . 72.53 112.358 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -32.89 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.31 110.866 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -24.34 60.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.877 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.896 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 119.314 -0.374 . . . . 53.04 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -26.74 23.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.514 -1.221 . . . . 74.43 110.854 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.59 -19.7 48.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 63.03 110.868 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -19.47 61.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.949 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -16.74 60.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -72.85 -16.4 61.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.831 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.3 -13.17 60.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 52.11 111.099 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -66.86 -26.34 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.11 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -27.42 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.824 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -28.94 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.54 110.844 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mtt -60.37 -22.77 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 53.15 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.3 162.27 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 74.01 110.917 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.41 -16.18 13.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 73.31 112.358 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -11.36 60.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.926 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -76.68 -20.22 56.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 73.15 110.858 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.89 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 119.322 -0.371 . . . . 72.11 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -84.88 -14.77 46.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.523 -1.217 . . . . 63.32 110.918 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -19.63 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.855 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.52 -18.08 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.903 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.97 -15.52 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -71.6 -16.64 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 -21.09 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 44.34 111.104 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.15 -25.95 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -84.56 -30.67 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.887 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -66.11 -21.96 66.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.877 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.6 ttt -72.25 -19.88 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.881 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -78.68 162.31 65.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.64 0.734 . . . . 63.04 110.883 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -78.45 -6.66 15.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 73.03 112.354 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -32.85 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.844 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 t -85.84 -12.7 50.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 71.43 110.872 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 61.11 110.843 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.744 0.307 . . . . 73.23 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -18.99 61.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.855 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.24 -17.82 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 44.3 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -74.94 -15.84 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 64.13 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -74.83 -16.53 60.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.83 -23.54 59.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.113 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 63.35 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -78.42 -26.47 46.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.914 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -17.48 61.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 52.21 110.855 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.14 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 42.35 110.867 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -85.45 162.51 48.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 71.23 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -5.55 17.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.637 2.225 . . . . 70.53 112.361 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -2.98 54.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.891 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 55.14 110.858 -179.838 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 75.4 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -20.49 38.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 52.51 110.863 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -18.91 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -74.96 -16.48 60.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 70.31 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -14.62 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.841 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -7.03 52.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 52.33 111.081 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -26.74 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.15 110.852 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -13.96 55.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 t -73.89 -22.48 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.44 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -22.47 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.86 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.76 162.52 47.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 74.25 110.88 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -11.88 23.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 60.41 112.352 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 62.22 110.83 -179.823 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 72.24 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -19.74 61.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.23 110.87 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -18.59 62.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 63.24 110.944 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 mtm-85 -74.93 -17.03 60.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -73.64 -16.32 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.821 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.85 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.44 111.093 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -30.98 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.1 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -78.15 -32.8 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -23.89 58.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 62.53 110.858 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.0 ttm -74.03 -27.6 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.924 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.79 162.5 55.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.738 . . . . 73.01 110.884 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.87 -6.28 18.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.656 2.238 . . . . 74.23 112.345 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -14.38 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.857 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 52.42 110.834 -179.778 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.5 pttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.758 0.313 . . . . 62.1 110.865 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -20.52 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 64.44 110.84 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -18.3 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -74.95 -14.93 60.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 63.44 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -72.66 -15.35 61.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 61.42 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.52 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.082 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -28.13 69.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.874 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.86 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 74.24 110.85 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -32.69 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.884 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -10.61 59.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 72.45 110.873 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.49 162.56 47.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.662 0.744 . . . . 62.32 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.92 -10.96 23.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 63.33 112.36 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.66 -4.04 47.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.02 110.86 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 51.14 110.865 -179.822 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.836 0.35 . . . . 64.44 110.926 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -19.35 59.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.81 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.935 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.6 -14.96 60.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.854 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -74.92 -15.87 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -7.15 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -74.9 -21.5 59.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.884 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -30.34 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 33.4 110.826 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttp -70.45 -17.61 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.84 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.92 162.51 62.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 75.41 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 -6.24 18.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 74.12 112.357 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -13.73 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 53.34 110.839 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.847 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.321 . . . . 73.32 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -19.22 58.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.868 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -20.39 58.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.15 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -74.66 -20.1 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -16.53 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 71.24 110.843 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -11.62 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.088 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.33 -12.31 61.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -86.26 -25.73 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 t -60.03 -27.32 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.63 -27.43 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.889 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -77.54 162.56 68.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 74.24 110.893 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.96 -12.65 23.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 54.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -9.43 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.45 110.852 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.869 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.816 0.341 . . . . 65.32 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -19.55 26.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.52 -20.1 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -17.39 60.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.05 110.887 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -74.28 -15.61 60.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.33 -17.4 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 42.15 111.146 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -31.6 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.887 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -74.95 -32.25 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -21.17 66.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.841 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 ttt -74.22 -26.08 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -88.87 162.46 38.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 74.24 110.899 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.82 -7.24 19.81 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.694 2.263 . . . . 71.13 112.388 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -70.86 -21.46 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.861 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 70.2 110.833 -179.823 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.767 0.317 . . . . 75.44 110.901 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -20.15 56.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 43.03 110.89 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.87 -19.55 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -16.3 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.852 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 m170 -73.46 -16.28 61.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.844 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -18.76 60.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.13 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -22.4 60.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -19.68 28.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 71.45 110.832 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -21.55 59.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 53.13 110.862 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -14.99 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.844 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.8 162.52 71.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 74.11 110.88 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -8.73 21.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.694 2.263 . . . . 75.21 112.315 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -19.52 45.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.842 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.822 -179.824 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.794 0.331 . . . . 63.12 110.933 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -19.54 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.31 110.874 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.73 -19.21 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.926 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -74.42 -16.18 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.869 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -73.95 -16.46 61.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 75.52 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.82 -14.36 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.11 111.088 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.15 -26.87 68.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 63.35 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -83.59 -22.39 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.915 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.2 t -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 65.52 110.824 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -13.8 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.886 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.85 162.52 35.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 71.33 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -13.15 24.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 75.11 112.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 p -70.41 -23.19 62.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.863 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 64.44 110.851 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.775 0.321 . . . . 53.43 110.913 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -20.05 62.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 72.53 110.844 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.01 -18.93 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 62.15 110.941 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -74.91 -16.74 60.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.86 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -74.83 -16.67 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 64.14 110.871 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.77 -19.44 60.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 41.1 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -33.02 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -88.99 -31.08 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 54.43 110.897 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 p -74.78 -19.23 60.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 54.32 110.826 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 ttm -74.87 -10.29 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.76 162.53 35.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.681 0.753 . . . . 75.31 110.827 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.9 -12.1 23.85 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.708 2.272 . . . . 54.42 112.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -32.53 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 65.41 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 71.04 110.87 -179.823 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.8 0.334 . . . . 70.35 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -20.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -18.82 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 42.31 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -14.77 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.885 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.23 -15.34 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -13.06 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 62.01 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -60.69 -20.63 61.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -88.99 -32.58 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.842 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 p -74.37 -28.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 70.22 110.865 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.4 ttt -60.95 -26.11 67.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.861 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -73.19 162.51 74.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 72.03 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -11.14 23.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 75.11 112.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -71.44 -10.8 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.41 110.795 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.84 -179.761 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 63.32 110.925 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -19.78 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.879 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.43 -19.06 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 54.02 110.905 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -16.38 60.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -70.07 -16.67 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.865 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.91 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 60.43 111.143 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.82 -21.72 66.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.891 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -32.47 19.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 73.45 110.873 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.23 -28.89 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.851 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtt -74.25 -16.76 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 71.14 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -74.05 162.48 73.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 74.21 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 -25.02 14.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 50.43 112.329 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -11.91 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.829 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 44.42 110.882 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 tptt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 72.31 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -19.77 37.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 61.15 110.863 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -17.97 63.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.868 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -74.86 -14.33 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.33 -14.89 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.855 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -12.31 60.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 73.34 111.087 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -21.46 59.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 42.24 110.857 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -80.97 -19.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.845 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.6 t -72.54 -25.76 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.882 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -13.14 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 54.33 110.847 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -85.93 162.45 46.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 74.01 110.902 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -24.37 15.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 74.05 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 t -70.04 -12.48 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 60.31 110.888 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.837 -179.8 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.771 0.32 . . . . 75.15 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -18.87 34.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 70.12 110.819 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -18.26 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.909 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.92 -17.38 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.852 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -74.93 -16.01 60.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 71.33 110.89 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -21.53 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.13 111.113 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.65 -22.73 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 62.23 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.8 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.859 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -24.13 58.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -25.71 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.89 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -82.42 162.53 55.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 65.34 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.84 -10.67 23.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 74.31 112.394 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -70.64 -16.82 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.807 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.892 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.836 0.35 . . . . 55.42 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -19.28 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -18.64 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 64.15 110.877 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.06 -16.24 60.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.828 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -72.65 -16.36 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.843 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.03 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 74.11 111.109 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.56 -27.82 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 70.15 110.923 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.4 -32.84 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.54 110.849 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.7 t -74.99 -16.21 60.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 41.25 110.862 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtp -75.04 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 54.21 110.881 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -88.54 162.52 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 71.34 110.874 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -73.9 -23.62 16.16 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.761 2.307 . . . . 74.42 112.348 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -11.49 60.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 74.04 110.868 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 62.33 110.874 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.759 0.314 . . . . 70.44 110.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -19.55 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 70.41 110.851 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -19.16 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -74.65 -16.34 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -16.54 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 62.33 110.854 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -19.3 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.69 -29.82 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.41 110.847 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -32.34 32.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.861 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 -21.08 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.56 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.844 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.6 162.47 60.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.684 0.754 . . . . 55.34 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -74.48 -10.78 22.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 65.31 112.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.9 m -70.31 -26.35 63.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 74.51 110.848 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.755 0.312 . . . . 75.21 110.892 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -19.81 42.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.867 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -19.27 61.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.42 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -17.85 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -16.21 60.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 65.14 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 -12.96 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 71.55 111.102 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.33 -19.72 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.35 110.874 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -86.23 -16.8 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 55.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.9 t -70.25 -24.18 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ttm -74.95 -20.52 59.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 72.42 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.88 162.49 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 73.02 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.7 -14.13 21.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 75.14 112.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -11.34 60.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 75.52 110.908 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 72.33 110.835 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.789 0.328 . . . . 54.33 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -19.63 61.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.853 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.45 -20.15 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.21 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -74.98 -20.35 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.24 110.85 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -74.93 -16.66 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.827 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -17.35 63.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 65.32 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -22.79 66.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.844 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -32.09 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 t -74.79 -16.57 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.42 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.4 mtt -73.91 -24.07 59.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 65.11 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -76.16 162.28 72.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 75.32 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -78.36 -20.17 11.26 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 2.267 . . . . 72.53 112.358 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -32.89 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.31 110.866 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.877 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.746 0.307 . . . . 74.43 110.854 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.59 -19.7 48.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 63.03 110.868 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -19.47 61.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.949 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -16.74 60.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -72.85 -16.4 61.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.831 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.3 -13.17 60.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 52.11 111.099 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -66.86 -26.34 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.11 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -27.42 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.824 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -28.94 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.54 110.844 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mtt -60.37 -22.77 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 53.15 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.3 162.27 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 74.01 110.917 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.41 -16.18 13.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 73.31 112.358 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -11.36 60.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.926 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 73.15 110.858 -179.872 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.794 0.331 . . . . 63.32 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -19.63 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.855 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.52 -18.08 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.903 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.97 -15.52 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -71.6 -16.64 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 -21.09 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 44.34 111.104 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.15 -25.95 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -84.56 -30.67 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.887 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -66.11 -21.96 66.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.877 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.6 ttt -72.25 -19.88 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.881 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -78.68 162.31 65.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.64 0.734 . . . . 63.04 110.883 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -78.45 -6.66 15.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 73.03 112.354 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -32.85 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.844 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 71.43 110.872 -179.787 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' HE ' ' H1 ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 119.324 -0.369 . . . . 74.42 110.863 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -80.0 -10.82 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.537 -1.21 . . . . 73.23 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -18.99 61.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.855 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.24 -17.82 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 44.3 110.916 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -74.94 -15.84 60.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 64.13 110.838 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -74.83 -16.53 60.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.88 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.83 -23.54 59.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.113 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 63.35 110.898 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -78.42 -26.47 46.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 72.31 110.914 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -17.48 61.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 52.21 110.855 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -20.14 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 42.35 110.867 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -85.45 162.51 48.03 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 71.23 110.864 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -5.55 17.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.637 2.225 . . . . 70.53 112.361 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -2.98 54.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.891 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -77.32 -25.27 51.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 55.14 110.858 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 52.34 110.867 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 119.267 -0.397 . . . . 74.44 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -16.01 60.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.544 -1.207 . . . . 75.4 110.897 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -20.49 38.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 52.51 110.863 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -18.91 61.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -74.96 -16.48 60.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 70.31 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -14.62 60.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.841 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -7.03 52.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 52.33 111.081 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -26.74 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.15 110.852 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -13.96 55.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.882 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.8 t -73.89 -22.48 59.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.44 110.889 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -22.47 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.86 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.76 162.52 47.15 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.683 0.754 . . . . 74.25 110.88 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -11.88 23.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 60.41 112.352 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.1 t -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -80.47 -14.7 58.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 62.22 110.83 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 54.03 110.844 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 119.323 -0.37 . . . . 72.21 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -6.09 59.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.535 -1.211 . . . . 72.24 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -19.74 61.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.23 110.87 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -18.59 62.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 63.24 110.944 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 mtm-85 -74.93 -17.03 60.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -73.64 -16.32 61.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.821 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.85 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.44 111.093 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -30.98 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.1 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -78.15 -32.8 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.884 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.62 -23.89 58.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 62.53 110.858 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.0 ttm -74.03 -27.6 61.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.924 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -82.79 162.5 55.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.649 0.738 . . . . 73.01 110.884 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.87 -6.28 18.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.656 2.238 . . . . 74.23 112.345 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -14.38 62.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.857 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -78.3 -18.3 55.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 52.42 110.834 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.872 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 119.262 -0.399 . . . . 74.24 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -75.42 -27.54 59.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.583 -1.189 . . . . 62.1 110.865 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -20.52 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 64.44 110.84 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -18.3 61.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -74.95 -14.93 60.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 63.44 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -72.66 -15.35 61.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 61.42 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.52 60.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.082 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -28.13 69.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.874 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -26.86 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 74.24 110.85 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.65 -32.69 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.884 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -10.61 59.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 72.45 110.873 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.49 162.56 47.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.662 0.744 . . . . 62.32 110.844 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.92 -10.96 23.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 63.33 112.36 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.66 -4.04 47.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.02 110.86 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -82.47 -21.32 35.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 51.14 110.865 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 52.3 110.898 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 119.311 -0.376 . . . . 64.14 110.838 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -29.93 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.567 -1.197 . . . . 64.44 110.926 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -19.35 59.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.885 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.81 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.935 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.6 -14.96 60.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.854 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -74.92 -15.87 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -7.15 52.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -74.9 -21.5 59.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.884 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -30.34 41.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 33.4 110.826 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 ttp -70.45 -17.61 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.43 110.84 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.92 162.51 62.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.694 0.759 . . . . 75.41 110.848 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.85 -6.24 18.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 74.12 112.357 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -13.73 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 53.34 110.839 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t -83.71 -24.56 31.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.847 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 72.24 110.864 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 119.342 -0.361 . . . . 75.32 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -27.73 61.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.528 -1.214 . . . . 73.32 110.863 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.46 -19.22 58.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.868 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -20.39 58.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 72.15 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -74.66 -20.1 60.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.03 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -16.53 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 71.24 110.843 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -11.62 60.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.088 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.33 -12.31 61.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -86.26 -25.73 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 t -60.03 -27.32 66.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.63 -27.43 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.889 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -77.54 162.56 68.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.74 . . . . 74.24 110.893 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.96 -12.65 23.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.238 . . . . 54.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -9.43 58.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.45 110.852 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -32.51 63.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.869 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 63.53 110.867 -179.89 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 119.273 -0.394 . . . . 74.33 110.846 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -9.13 56.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.51 -1.223 . . . . 65.32 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 -19.55 26.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.52 -20.1 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -17.39 60.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.05 110.887 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -74.28 -15.61 60.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 64.42 110.873 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.33 -17.4 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 42.15 111.146 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -31.6 70.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.887 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -74.95 -32.25 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -21.17 66.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.841 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 ttt -74.22 -26.08 60.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.23 110.876 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -88.87 162.46 38.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 74.24 110.899 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.82 -7.24 19.81 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.694 2.263 . . . . 71.13 112.388 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.3 t -70.86 -21.46 62.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.861 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m -88.01 -10.59 49.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 70.2 110.833 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 74.31 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 119.304 -0.379 . . . . 74.14 110.885 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -10.9 60.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.565 -1.198 . . . . 75.44 110.901 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -20.15 56.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 43.03 110.89 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.87 -19.55 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.68 -16.3 60.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.852 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.8 m170 -73.46 -16.28 61.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.844 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -18.76 60.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.13 111.087 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -22.4 60.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.892 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -19.68 28.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 71.45 110.832 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.09 -21.55 59.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 53.13 110.862 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.9 mtp -66.49 -14.99 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.844 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.8 162.52 71.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 74.11 110.88 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.91 -8.73 21.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.694 2.263 . . . . 75.21 112.315 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.49 -19.52 45.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.842 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.6 t -85.02 -31.61 23.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 63.33 110.822 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.868 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 119.336 -0.364 . . . . 74.53 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.05 -6.26 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.489 -1.232 . . . . 63.12 110.933 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.72 -19.54 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.31 110.874 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mp -61.73 -19.21 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.926 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -74.42 -16.18 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.869 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -73.95 -16.46 61.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 75.52 110.889 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.82 -14.36 61.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.11 111.088 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.15 -26.87 68.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 63.35 110.878 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -83.59 -22.39 32.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.915 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.2 t -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 65.52 110.824 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -13.8 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 62.21 110.886 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.85 162.52 35.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.618 0.723 . . . . 71.33 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.87 -13.15 24.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.657 2.238 . . . . 75.11 112.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 p -70.41 -23.19 62.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.863 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.2 t -82.73 -24.57 33.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 64.44 110.851 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 74.34 110.913 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 119.279 -0.391 . . . . 71.31 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.64 -31.48 32.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.58 -1.191 . . . . 53.43 110.913 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.55 -20.05 62.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 72.53 110.844 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.01 -18.93 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 62.15 110.941 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -74.91 -16.74 60.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.86 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -74.83 -16.67 60.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 64.14 110.871 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.77 -19.44 60.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 41.1 111.103 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -33.02 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -88.99 -31.08 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 54.43 110.897 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.6 p -74.78 -19.23 60.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 54.32 110.826 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 ttm -74.87 -10.29 59.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.874 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.76 162.53 35.68 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.681 0.753 . . . . 75.31 110.827 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.9 -12.1 23.85 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.708 2.272 . . . . 54.42 112.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -32.53 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 65.41 110.863 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 t -89.2 -32.81 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 71.04 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.826 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 119.294 -0.384 . . . . 53.15 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -73.59 -25.19 60.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.509 -1.223 . . . . 70.35 110.905 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.22 -20.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -18.82 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 42.31 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.99 -14.77 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.885 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.23 -15.34 61.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -13.06 60.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 62.01 111.095 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -60.69 -20.63 61.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -88.99 -32.58 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.53 110.842 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 p -74.37 -28.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 70.22 110.865 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.4 ttt -60.95 -26.11 67.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.861 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -73.19 162.51 74.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 72.03 110.868 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -11.14 23.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 75.11 112.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -71.44 -10.8 60.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 75.41 110.795 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -70.42 -27.74 64.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.84 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 61.2 110.866 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 119.293 -0.384 . . . . 74.43 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -4.97 59.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.552 -1.203 . . . . 63.32 110.925 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -19.78 43.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.879 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.43 -19.06 61.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 54.02 110.905 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -16.38 60.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 64.54 110.858 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -70.07 -16.67 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.865 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.72 -10.91 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 60.43 111.143 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.82 -21.72 66.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.891 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.38 -32.47 19.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 73.45 110.873 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.23 -28.89 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.851 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtt -74.25 -16.76 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 71.14 110.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -74.05 162.48 73.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 74.21 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.85 -25.02 14.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 50.43 112.329 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -11.91 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.829 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.3 t -81.57 -9.51 59.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 44.42 110.882 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.928 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 119.284 -0.389 . . . . 75.14 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -85.86 -3.75 58.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.54 -1.209 . . . . 72.31 110.915 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -19.77 37.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 61.15 110.863 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -17.97 63.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.868 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -74.86 -14.33 60.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -74.33 -14.89 60.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.855 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.8 -12.31 60.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 73.34 111.087 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -21.46 59.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 42.24 110.857 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -80.97 -19.04 44.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.845 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.6 t -72.54 -25.76 61.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.882 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -13.14 61.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 54.33 110.847 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -85.93 162.45 46.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 74.01 110.902 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.85 -24.37 15.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 74.05 112.333 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.3 t -70.04 -12.48 61.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 60.31 110.888 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t -71.07 -31.06 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.837 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.939 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 119.283 -0.389 . . . . 74.25 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -70.87 -31.36 68.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.5 -1.227 . . . . 75.15 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -18.87 34.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 70.12 110.819 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -18.26 63.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.909 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.92 -17.38 60.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.852 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -74.93 -16.01 60.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 71.33 110.89 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -21.53 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 71.13 111.113 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.65 -22.73 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 62.23 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.8 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.859 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -24.13 58.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -25.71 61.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.89 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -82.42 162.53 55.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 65.34 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.84 -10.67 23.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 74.31 112.394 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -70.64 -16.82 62.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.807 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -24.35 26.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.33 110.892 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 74.02 110.88 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 119.267 -0.397 . . . . 75.51 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -17.21 56.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.523 -1.217 . . . . 55.42 110.922 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -19.28 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -18.64 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 64.15 110.877 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -75.06 -16.24 60.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.828 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -72.65 -16.36 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.843 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.03 60.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 74.11 111.109 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.56 -27.82 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 70.15 110.923 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -89.4 -32.84 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 74.54 110.849 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.7 t -74.99 -16.21 60.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 41.25 110.862 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 mtp -75.04 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 54.21 110.881 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -88.54 162.52 39.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 71.34 110.874 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -73.9 -23.62 16.16 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.761 2.307 . . . . 74.42 112.348 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -11.49 60.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 74.04 110.868 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.35 -32.43 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 62.33 110.874 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 74.22 110.886 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 119.294 -0.384 . . . . 72.25 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -88.19 -18.73 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.538 -1.21 . . . . 70.44 110.835 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -19.55 58.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 70.41 110.851 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.86 -19.16 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.95 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -74.65 -16.34 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -16.54 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 62.33 110.854 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -19.3 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.22 111.093 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.69 -29.82 70.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.41 110.847 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -32.34 32.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.861 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 -21.08 63.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.869 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.56 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.844 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -80.6 162.47 60.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.684 0.754 . . . . 55.34 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -74.48 -10.78 22.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 65.31 112.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.9 m -70.31 -26.35 63.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 72.33 110.891 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -70.49 -27.15 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 74.51 110.848 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 72.12 110.907 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 119.289 -0.386 . . . . 73.24 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -29.07 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.576 -1.193 . . . . 75.21 110.892 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 -19.81 42.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.867 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.42 -19.27 61.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.42 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.88 -17.85 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.877 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.03 -16.21 60.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 65.14 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.66 -12.96 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 71.55 111.102 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -69.33 -19.72 63.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 71.35 110.874 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -86.23 -16.8 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 55.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.9 t -70.25 -24.18 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ttm -74.95 -20.52 59.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 72.42 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -89.88 162.49 35.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 73.02 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.7 -14.13 21.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 75.14 112.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -11.34 60.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 75.52 110.908 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.74 -32.54 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 72.33 110.835 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 74.12 110.864 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 119.296 -0.383 . . . . 70.15 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -81.11 -29.14 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.522 -1.217 . . . . 54.33 110.897 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -19.63 61.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.853 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.45 -20.15 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 61.21 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -74.98 -20.35 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.24 110.85 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -74.93 -16.66 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.827 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.1 -17.35 63.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 65.32 111.077 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -22.79 66.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.844 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -32.09 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.846 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 t -74.79 -16.57 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.42 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.4 mtt -73.91 -24.07 59.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 65.11 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -76.16 162.28 72.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 75.32 110.889 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -78.36 -20.17 11.26 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.7 2.267 . . . . 72.53 112.358 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -32.89 70.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 73.31 110.866 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -24.34 60.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 64.01 110.877 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.896 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 119.314 -0.374 . . . . 53.04 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -26.74 23.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.514 -1.221 . . . . 74.43 110.854 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.59 -19.7 48.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 63.03 110.868 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -19.47 61.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 64.44 110.949 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -16.74 60.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.864 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -72.85 -16.4 61.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.831 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.3 -13.17 60.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 52.11 111.099 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -66.86 -26.34 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.11 110.877 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -27.42 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.824 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -28.94 61.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.54 110.844 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mtt -60.37 -22.77 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 53.15 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -80.3 162.27 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 74.01 110.917 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.41 -16.18 13.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 73.31 112.358 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.66 -11.36 60.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.926 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -76.68 -20.22 56.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 73.15 110.858 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.89 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 119.322 -0.371 . . . . 72.11 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -84.88 -14.77 46.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.523 -1.217 . . . . 63.32 110.918 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -19.63 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.855 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.52 -18.08 63.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.903 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.97 -15.52 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -71.6 -16.64 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.93 -21.09 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 44.34 111.104 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -67.15 -25.95 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -84.56 -30.67 24.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 71.32 110.887 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -66.11 -21.96 66.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.877 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.6 ttt -72.25 -19.88 61.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 71.21 110.881 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -78.68 162.31 65.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.64 0.734 . . . . 63.04 110.883 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -78.45 -6.66 15.61 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 73.03 112.354 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -32.85 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.1 110.844 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 t -85.84 -12.7 50.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 71.43 110.872 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 61.11 110.843 -179.906 . . . . . . . . 1 1 . 1 stop_ save_