data_2lke_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 2lke _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.813 0.34 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -20.72 51.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.932 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.39 -15.97 47.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 73.22 112.503 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -35.77 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 71.32 110.917 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.06 -55.34 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 64.04 110.898 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -55.83 -14.01 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -50.32 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 73.32 110.839 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -92.77 -19.77 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.943 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -80.17 -44.61 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -34.24 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.55 110.894 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -41.38 77.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 65.32 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -37.84 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.897 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.885 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.811 0.338 . . . . 73.33 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -20.09 39.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.921 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.14 -16.64 42.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.428 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -35.97 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 73.34 110.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.08 -55.84 16.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.33 110.859 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -55.74 -14.05 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -77.64 -50.23 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.858 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -20.02 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.34 110.901 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -79.88 -44.61 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.934 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.36 77.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 74.1 110.95 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -41.37 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.864 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -38.03 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.869 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ttp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 61.05 110.889 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.829 0.347 . . . . 75.31 110.883 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -20.74 50.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -16.01 47.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 63.53 112.503 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -35.82 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.389 . . . . 75.42 110.86 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.02 -55.3 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 75.45 110.924 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -55.81 -14.0 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.946 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -50.42 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -92.66 -20.16 21.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.31 110.93 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.73 -45.14 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.915 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.54 77.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.89 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -68.93 -41.46 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 61.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.31 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 70.32 110.882 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.3 ttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.871 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.806 0.336 . . . . 74.42 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -20.85 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 65.21 110.904 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.25 -16.07 47.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 64.14 112.487 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -35.7 29.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 75.02 110.903 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.1 m-85 -65.12 -55.28 19.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 72.42 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -55.84 -13.98 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.905 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -50.41 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.859 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.59 -20.14 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.01 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.81 -45.0 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.918 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.46 77.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.896 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.99 -41.41 77.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.881 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -38.22 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.852 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.7 ttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 70.11 110.899 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.4 tptt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 74.24 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -21.88 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.53 110.906 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -17.59 34.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 75.11 112.496 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -36.33 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 74.31 110.86 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 39.0 m-85 -65.03 -55.5 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.914 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -55.92 -13.97 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.02 110.897 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.72 -50.23 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.88 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.71 -20.21 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.888 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.7 -44.92 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.965 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.906 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -69.1 -41.39 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -38.34 68.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 62.4 110.876 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.2 ttm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.871 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 73.23 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.46 -22.06 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.938 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.84 44.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 74.22 112.503 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -34.81 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 74.21 110.841 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.2 m-85 -66.03 -54.6 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.905 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -56.53 -13.34 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 71.31 110.901 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -49.85 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.851 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.84 -20.64 20.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.872 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.8 m-85 -79.61 -45.22 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 71.24 110.91 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -63.31 -34.48 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 73.12 110.894 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.02 -41.5 77.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.85 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -38.31 69.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.886 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.2 tmm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.882 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.789 0.328 . . . . 74.25 110.896 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.38 -21.82 51.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.946 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -16.11 44.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 71.03 112.484 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.29 -32.78 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 63.31 110.905 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.66 -54.71 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 73.24 110.867 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -56.29 -14.05 2.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.904 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.03 -49.97 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.5 110.874 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -92.48 -20.22 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.93 -44.77 19.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.887 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -34.23 77.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.28 -41.36 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 63.23 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -37.94 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.846 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.804 0.335 . . . . 73.51 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -21.59 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.891 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -15.96 45.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 73.43 112.482 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.47 -32.78 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 74.41 110.865 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.3 m-85 -67.57 -54.81 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.886 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -56.2 -14.18 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 70.32 110.932 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.8 -50.03 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.934 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -20.35 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.931 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.7 m-85 -79.95 -44.78 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.99 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.73 -34.31 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.887 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -41.44 77.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.03 110.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -37.9 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 ttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.928 179.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.776 0.322 . . . . 75.3 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -21.37 44.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.894 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.3 -15.49 45.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 54.14 112.512 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.25 -31.85 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 75.11 110.844 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 28.3 m-85 -68.41 -54.28 18.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.894 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -56.49 -13.81 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 11.6 mtp180 -78.65 -49.61 12.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 75.34 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -92.54 -20.51 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 60.21 110.907 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.8 m-85 -79.75 -45.12 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.865 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -34.34 77.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.911 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -41.41 76.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.838 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.27 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.86 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.849 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 75.11 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.41 -21.68 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.936 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.96 -16.04 45.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 70.22 112.443 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.36 -32.78 29.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 75.34 110.853 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.62 -54.78 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.851 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -56.24 -14.17 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.87 -50.03 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 73.41 110.884 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -20.76 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.5 m-85 -79.43 -45.35 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.906 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -63.12 -34.55 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 73.4 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.97 -41.51 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.858 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -38.28 69.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.929 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 75.03 110.858 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.835 0.35 . . . . 74.34 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -21.77 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.908 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.8 -16.14 44.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 72.14 112.5 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.31 -32.75 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 70.42 110.89 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.5 m-85 -67.65 -54.68 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 73.15 110.844 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -56.3 -14.11 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.855 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.04 -49.96 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.02 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -92.37 -20.55 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 75.53 110.921 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.58 -45.06 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.917 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -34.38 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.849 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -69.13 -41.43 77.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 54.15 110.872 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -38.27 68.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.0 ttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.928 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.801 0.334 . . . . 74.12 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -22.17 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.973 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.52 42.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 65.1 112.455 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.58 -32.97 31.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 73.44 110.871 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 31.4 m-85 -67.68 -54.59 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.3 -14.12 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.54 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.98 -50.08 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 64.45 110.874 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -92.3 -20.56 20.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.924 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.0 m-85 -79.48 -45.23 19.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.921 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.861 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -69.1 -41.45 77.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.841 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -38.23 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 40.0 ttp . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.943 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 73.14 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -19.9 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 74.43 110.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.6 -15.96 42.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 61.4 112.487 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -82.11 -33.71 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 75.13 110.936 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -67.2 -55.34 14.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 75.4 110.929 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -56.04 -14.17 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.882 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.9 -49.99 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.851 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -92.59 -20.42 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.903 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.4 m-85 -79.62 -45.11 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.901 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.34 77.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.911 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.14 -41.36 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.891 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.26 68.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 65.54 110.891 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 40.0 ttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.815 0.341 . . . . 70.42 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -21.38 49.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 73.12 110.937 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.41 -16.88 37.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 73.03 112.468 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.26 -33.56 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 75.24 110.898 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.0 m-85 -67.29 -55.29 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -56.14 -14.09 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.0 -49.98 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.84 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -92.39 -20.53 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.898 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.55 -44.99 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.894 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -34.37 77.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 75.15 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -41.47 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.913 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.27 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 72.42 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 65.43 110.875 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.8 0.333 . . . . 74.02 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -20.2 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.964 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.13 -16.63 41.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 55.13 112.529 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -35.39 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 74.25 110.921 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 36.6 m-85 -65.8 -55.28 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 71.15 110.878 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 11.5 mmtt -56.52 -12.47 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.93 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -49.26 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.853 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -93.92 -17.9 22.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.9 m-85 -80.88 -46.16 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.903 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 60.5 mmtt -63.26 -34.9 78.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 72.3 110.875 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -41.27 80.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.867 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -37.92 68.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.85 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 tptp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.827 0.346 . . . . 75.25 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -21.54 44.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.927 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.79 -17.16 34.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 51.33 112.52 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -36.05 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 74.53 110.878 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.3 m-85 -64.78 -55.85 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.858 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 16.5 mmtm -55.76 -13.19 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.898 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -49.51 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.08 -15.74 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.899 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.5 m-85 -83.0 -45.79 13.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.907 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 66.3 mmtt -63.99 -34.26 77.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.41 110.932 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -41.2 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.33 110.874 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.81 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 71.3 110.871 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.872 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.811 0.339 . . . . 74.32 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.38 -21.15 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.931 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -16.19 46.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 65.23 112.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -34.78 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 65.14 110.917 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -66.03 -54.68 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -56.44 -13.2 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.31 110.963 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -49.74 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.891 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -92.74 -20.5 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 64.41 110.951 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.3 m-85 -79.82 -44.88 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.891 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.11 77.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.913 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -40.76 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.863 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -36.44 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.905 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.3 ttm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.891 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.841 0.353 . . . . 72.34 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -21.32 56.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.894 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.72 -16.6 46.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 75.32 112.521 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -35.96 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 64.13 110.817 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -64.59 -55.3 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.902 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -55.91 -13.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.2 110.917 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -50.1 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 73.14 110.884 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -92.82 -20.1 21.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.942 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m-85 -80.13 -44.91 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.932 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.44 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -69.93 -40.74 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 75.43 110.9 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -36.48 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.852 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.893 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.9 tptt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 75.14 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -23.15 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.966 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.17 -18.24 27.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 73.45 112.488 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -36.12 40.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 75.24 110.865 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.23 -55.33 19.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.886 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -55.72 -14.04 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 72.32 110.888 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -50.04 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.47 -18.67 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.899 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.7 m-85 -81.74 -45.18 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 75.43 110.904 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -25.63 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 70.12 110.903 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.72 -33.82 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -40.1 62.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 74.03 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 73.1 110.851 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.842 0.353 . . . . 75.31 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -21.01 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.1 -16.18 47.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 63.03 112.506 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -35.05 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.44 110.869 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -65.92 -54.57 24.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -56.64 -13.07 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.918 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -49.7 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.87 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.73 -19.69 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 28.1 m-85 -81.55 -44.24 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.949 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -61.55 -34.86 76.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.939 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -34.11 57.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.848 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 ttp -75.83 -36.25 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 75.15 110.909 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.91 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.813 0.34 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -20.72 51.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.932 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.39 -15.97 47.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 73.22 112.503 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -35.77 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 71.32 110.917 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.06 -55.34 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 64.04 110.898 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -55.83 -14.01 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -50.32 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 73.32 110.839 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -92.77 -19.77 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.943 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -80.17 -44.61 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -34.24 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.55 110.894 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -41.38 77.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 65.32 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -37.84 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.897 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttt -63.78 -30.6 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.05 -11.85 29.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.846 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.33 -32.19 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 63.11 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.72 24.75 11.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.791 -0.719 . . . . 72.14 112.481 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.19 63.46 0.35 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.74 . . . . 75.2 112.482 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.27 50.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.669 2.246 . . . . 73.01 112.344 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 158.07 58.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.244 . . . . 73.24 112.342 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.85 -6.37 29.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 24.21 112.5 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.7 25.99 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 72.1 111.143 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.99 78.22 5.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.662 0.744 . . . . 71.34 110.84 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 83.87 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 74.32 112.385 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.869 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.811 0.338 . . . . 73.33 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -20.09 39.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.921 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.14 -16.64 42.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.428 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -35.97 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 73.34 110.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.08 -55.84 16.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.33 110.859 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -55.74 -14.05 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -77.64 -50.23 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.858 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -20.02 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.34 110.901 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -79.88 -44.61 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.934 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.36 77.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 74.1 110.95 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -41.37 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.864 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -38.03 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.869 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ttp -63.62 -30.64 71.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 61.05 110.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -94.01 -11.84 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.22 110.837 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.19 -32.04 22.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.864 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.5 24.71 11.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 70.24 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.21 63.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 74.3 112.521 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.33 50.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 71.53 112.357 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 157.53 60.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.252 . . . . 64.54 112.35 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.83 -6.14 29.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 75.12 112.48 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.78 25.93 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 71.3 111.088 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.17 78.19 4.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.667 0.746 . . . . 74.53 110.89 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 82.15 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.652 2.235 . . . . 54.33 112.339 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.918 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.829 0.347 . . . . 75.31 110.883 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -20.74 50.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -16.01 47.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 63.53 112.503 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -35.82 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.389 . . . . 75.42 110.86 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.02 -55.3 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 75.45 110.924 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -55.81 -14.0 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.946 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -50.42 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -92.66 -20.16 21.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.31 110.93 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.73 -45.14 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.915 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.54 77.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.89 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -68.93 -41.46 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 61.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.31 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 70.32 110.882 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.408 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 9.3 ttt -63.34 -29.85 71.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.871 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.71 -13.23 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.816 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.09 -33.04 24.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 75.03 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.53 24.15 9.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 42.13 112.507 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.15 63.75 0.36 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 65.41 112.491 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.02 49.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.248 . . . . 74.32 112.353 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.31 46.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 75.32 112.324 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.81 -5.3 29.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 61.11 112.499 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.73 25.85 7.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 74.32 111.113 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.89 78.74 31.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.658 0.742 . . . . 75.25 110.862 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.82 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 2.249 . . . . 74.41 112.35 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.908 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.806 0.336 . . . . 74.42 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -20.85 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 65.21 110.904 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.25 -16.07 47.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 64.14 112.487 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -35.7 29.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 75.02 110.903 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.1 m-85 -65.12 -55.28 19.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 72.42 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -55.84 -13.98 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.905 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -50.41 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.859 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.59 -20.14 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.01 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.81 -45.0 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.918 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.46 77.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.896 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.99 -41.41 77.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.881 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -38.22 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.852 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.407 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 6.7 ttt -63.42 -29.72 70.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 70.11 110.899 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -13.2 27.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 63.41 110.821 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -33.01 24.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.53 24.08 9.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 54.15 112.504 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.23 63.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 74.51 112.496 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 143.03 49.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 75.45 112.292 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.36 46.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 72.53 112.345 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.77 -5.25 29.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 61.23 112.508 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.7 25.84 8.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.697 0.284 . . . . 73.15 111.096 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.92 78.7 32.0 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.616 0.722 . . . . 70.21 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 84.82 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.262 . . . . 70.43 112.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.927 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.4 tptt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 74.24 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -21.88 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.53 110.906 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -17.59 34.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 75.11 112.496 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -36.33 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 74.31 110.86 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 39.0 m-85 -65.03 -55.5 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.914 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -55.92 -13.97 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 75.02 110.897 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.72 -50.23 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.88 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.71 -20.21 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.888 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.7 -44.92 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.965 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.906 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -69.1 -41.39 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -38.34 68.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 62.4 110.876 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 23.2 ttm -63.32 -29.84 71.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.871 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -13.21 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 65.0 110.84 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.03 -33.1 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 62.24 110.868 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.65 24.07 9.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.749 . . . . 55.22 112.49 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.15 63.7 0.36 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.476 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 143.05 49.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 71.02 112.318 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.51 45.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 75.24 112.39 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.7 -5.27 29.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 72.2 112.501 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.72 25.97 7.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 74.23 111.104 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -121.11 78.73 33.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.65 0.738 . . . . 72.32 110.885 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 84.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.268 . . . . 74.14 112.356 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.914 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 73.23 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.46 -22.06 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.938 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.84 44.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 74.22 112.503 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -34.81 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 74.21 110.841 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.2 m-85 -66.03 -54.6 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.905 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -56.53 -13.34 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 71.31 110.901 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -49.85 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.851 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.84 -20.64 20.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.872 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.8 m-85 -79.61 -45.22 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 71.24 110.91 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -63.31 -34.48 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 73.12 110.894 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.02 -41.5 77.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.85 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -38.31 69.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.886 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.41 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 2.2 tmm? -63.41 -29.84 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.882 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.76 -13.07 27.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.879 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -33.01 25.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 65.32 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.48 24.24 9.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 64.01 112.48 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.22 63.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 60.2 112.508 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.98 49.4 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.727 2.285 . . . . 71.3 112.333 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 161.1 47.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.272 . . . . 65.32 112.337 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.81 -5.4 29.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 73.44 112.48 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.75 25.85 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 64.53 111.102 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -120.65 78.66 29.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 74.22 110.926 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 84.78 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 62.42 112.361 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 70.31 110.886 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.789 0.328 . . . . 74.25 110.896 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.38 -21.82 51.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.946 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -16.11 44.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 71.03 112.484 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.29 -32.78 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 63.31 110.905 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.66 -54.71 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 73.24 110.867 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -56.29 -14.05 2.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.904 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.03 -49.97 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.5 110.874 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -92.48 -20.22 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.93 -44.77 19.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.887 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -34.23 77.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.28 -41.36 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 63.23 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -37.94 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 ttt -63.79 -30.52 71.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.846 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 t -94.05 -11.85 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 73.33 110.847 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -32.17 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.886 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.75 24.72 11.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 74.21 112.464 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.21 63.48 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.477 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.33 50.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 71.23 112.383 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 157.56 59.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 74.33 112.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.86 -6.14 29.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 73.25 112.508 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.74 25.96 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 73.43 111.111 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -114.39 78.3 4.66 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 75.4 110.853 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 82.12 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 73.13 112.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.15 110.919 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.804 0.335 . . . . 73.51 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -21.59 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.891 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -15.96 45.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 73.43 112.482 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.47 -32.78 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 74.41 110.865 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.3 m-85 -67.57 -54.81 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.886 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -56.2 -14.18 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 70.32 110.932 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.8 -50.03 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.934 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -20.35 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.931 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.7 m-85 -79.95 -44.78 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.99 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.73 -34.31 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.887 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -41.44 77.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.03 110.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -37.9 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 ttt -63.72 -30.61 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.928 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.05 -11.8 29.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.23 110.857 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -51.34 -32.34 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.881 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.98 24.64 11.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 74.53 112.508 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.18 63.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 55.41 112.485 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 143.31 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.254 . . . . 74.44 112.294 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.1 58.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 63.41 112.35 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.81 -6.35 29.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 60.32 112.536 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.8 25.93 7.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.723 0.297 . . . . 74.34 111.066 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.0 78.23 5.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 60.22 110.921 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 83.73 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 74.21 112.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.927 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.776 0.322 . . . . 75.3 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -21.37 44.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.894 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.3 -15.49 45.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 54.14 112.512 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.25 -31.85 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 75.11 110.844 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 28.3 m-85 -68.41 -54.28 18.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.894 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -56.49 -13.81 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 11.6 mtp180 -78.65 -49.61 12.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 75.34 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -92.54 -20.51 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 60.21 110.907 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.8 m-85 -79.75 -45.12 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.865 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -34.34 77.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.911 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -41.41 76.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.838 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.27 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.86 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.407 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 4.2 ttt -63.45 -29.76 71.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.849 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.69 -13.24 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 54.12 110.881 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.06 -33.09 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 74.1 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.64 24.09 9.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 74.02 112.529 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.18 63.73 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 71.4 112.487 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.99 49.33 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 71.41 112.322 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.36 46.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 74.32 112.315 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.76 -5.24 29.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 72.01 112.527 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.73 25.81 7.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 74.32 111.11 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -120.89 78.72 31.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 75.33 110.913 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 84.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 2.242 . . . . 73.5 112.369 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.418 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.942 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 75.11 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.41 -21.68 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.936 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.96 -16.04 45.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 70.22 112.443 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.36 -32.78 29.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 75.34 110.853 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.62 -54.78 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.851 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -56.24 -14.17 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.87 -50.03 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 73.41 110.884 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -20.76 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.5 m-85 -79.43 -45.35 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.906 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -63.12 -34.55 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 73.4 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.97 -41.51 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.858 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -38.28 69.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.929 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.404 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 6.9 ttt -63.42 -29.8 71.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 75.03 110.858 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.72 -13.16 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 70.3 110.86 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -32.99 25.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 74.42 110.904 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.55 24.18 9.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 72.31 112.472 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.16 63.7 0.36 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 73.1 112.488 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.97 49.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.267 . . . . 75.44 112.307 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 161.35 46.27 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.267 . . . . 75.32 112.304 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.75 -5.2 29.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 41.31 112.511 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.66 25.95 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.297 . . . . 65.22 111.089 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.93 78.69 32.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 63.23 110.92 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 84.79 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 74.03 112.327 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 75.51 110.891 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.835 0.35 . . . . 74.34 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -21.77 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.908 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.8 -16.14 44.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 72.14 112.5 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.31 -32.75 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 70.42 110.89 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.5 m-85 -67.65 -54.68 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 73.15 110.844 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -56.3 -14.11 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.855 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.04 -49.96 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.02 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -92.37 -20.55 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 75.53 110.921 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.58 -45.06 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.917 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -34.38 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.849 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -69.13 -41.43 77.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 54.15 110.872 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -38.27 68.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.408 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 13.0 ttt -63.41 -29.75 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.928 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -93.73 -13.2 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.871 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -33.05 24.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 75.01 110.899 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.52 24.14 9.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 65.41 112.515 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.2 63.72 0.35 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 50.0 112.46 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 143.03 49.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 73.34 112.33 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.25 46.64 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.706 2.271 . . . . 75.43 112.355 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.82 -5.26 29.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 73.11 112.474 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.67 25.86 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 75.34 111.12 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.79 78.7 30.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.695 0.759 . . . . 75.32 110.902 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 84.85 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.66 2.24 . . . . 72.35 112.336 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.418 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.958 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.801 0.334 . . . . 74.12 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -22.17 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.973 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.52 42.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 65.1 112.455 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.58 -32.97 31.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 73.44 110.871 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 31.4 m-85 -67.68 -54.59 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.3 -14.12 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.54 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.98 -50.08 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 64.45 110.874 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -92.3 -20.56 20.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.924 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.0 m-85 -79.48 -45.23 19.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.921 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.861 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -69.1 -41.45 77.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.841 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -38.23 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.408 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 40.0 ttp -63.38 -29.82 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.943 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -93.72 -13.12 27.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 64.54 110.844 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.14 -33.08 25.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.869 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.58 24.12 9.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 52.03 112.509 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.2 63.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 73.05 112.487 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 143.01 49.45 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.7 2.267 . . . . 72.45 112.342 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 161.3 46.46 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 71.14 112.316 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.8 -5.29 29.22 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.737 -0.744 . . . . 73.23 112.483 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.7 25.87 8.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 73.1 111.132 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -120.83 78.7 31.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.59 0.71 . . . . 65.32 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 72.34 112.317 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.933 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 73.14 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -19.9 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 74.43 110.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.6 -15.96 42.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 61.4 112.487 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -82.11 -33.71 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 75.13 110.936 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -67.2 -55.34 14.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 75.4 110.929 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -56.04 -14.17 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.882 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.9 -49.99 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.851 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -92.59 -20.42 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.903 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.4 m-85 -79.62 -45.11 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.901 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.34 77.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.911 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.14 -41.36 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.891 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.26 68.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 65.54 110.891 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.407 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 40.0 ttp -63.41 -29.78 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -13.24 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.833 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -33.08 25.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.922 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.61 24.11 9.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 74.05 112.463 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.18 63.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 75.53 112.487 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.01 49.47 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.254 . . . . 73.31 112.341 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.35 46.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 73.04 112.347 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.77 -5.25 29.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 72.32 112.533 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.71 25.88 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 71.53 111.089 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -120.82 78.64 31.11 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.614 0.721 . . . . 73.35 110.935 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 84.79 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 72.32 112.361 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.418 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.936 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.815 0.341 . . . . 70.42 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -21.38 49.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 73.12 110.937 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.41 -16.88 37.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 73.03 112.468 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.26 -33.56 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 75.24 110.898 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.0 m-85 -67.29 -55.29 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -56.14 -14.09 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.0 -49.98 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.84 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -92.39 -20.53 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.898 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.55 -44.99 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.894 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -34.37 77.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 75.15 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -41.47 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.913 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.27 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 72.42 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.409 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -63.45 -29.85 71.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 65.43 110.875 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.69 -13.08 27.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 63.4 110.883 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -51.15 -33.03 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 74.21 110.906 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.45 24.19 9.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 75.32 112.5 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.22 63.68 0.35 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 51.1 112.492 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 143.01 49.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.64 2.226 . . . . 75.45 112.371 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 161.04 47.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.262 . . . . 64.14 112.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.85 -5.35 29.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 64.32 112.449 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.63 25.96 8.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 75.3 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.58 78.65 29.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.67 0.747 . . . . 75.35 110.889 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 84.82 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 72.21 112.331 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.13 110.926 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.8 0.333 . . . . 74.02 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -20.2 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.964 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.13 -16.63 41.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 55.13 112.529 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -35.39 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 74.25 110.921 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 36.6 m-85 -65.8 -55.28 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 71.15 110.878 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 11.5 mmtt -56.52 -12.47 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.93 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -49.26 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.853 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -93.92 -17.9 22.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.9 m-85 -80.88 -46.16 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.903 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 60.5 mmtt -63.26 -34.9 78.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 72.3 110.875 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -41.27 80.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.867 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -37.92 68.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttp -63.47 -30.64 71.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.85 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -94.02 -11.94 29.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 60.32 110.861 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -50.84 -32.17 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.882 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.87 24.65 11.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 72.41 112.51 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.19 63.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 73.31 112.5 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.28 50.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 71.21 112.356 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.72 59.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.716 2.277 . . . . 73.21 112.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.87 -6.24 29.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 72.34 112.505 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.76 25.98 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 75.01 111.099 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.48 78.29 4.77 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.605 0.717 . . . . 75.42 110.853 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 82.06 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 74.13 112.353 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 tptp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.827 0.346 . . . . 75.25 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -21.54 44.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.927 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.79 -17.16 34.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 51.33 112.52 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -36.05 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 74.53 110.878 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.3 m-85 -64.78 -55.85 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.858 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 16.5 mmtm -55.76 -13.19 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.898 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -49.51 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.08 -15.74 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.899 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.5 m-85 -83.0 -45.79 13.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.907 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 66.3 mmtt -63.99 -34.26 77.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.41 110.932 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -41.2 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.33 110.874 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.81 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 71.3 110.871 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt -63.46 -30.7 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.872 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.97 -12.07 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.877 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -31.83 19.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.883 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.49 24.68 11.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 74.25 112.457 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.17 63.5 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 63.14 112.501 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 143.24 49.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 73.01 112.331 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 158.23 57.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 71.33 112.334 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.84 -6.54 29.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 73.11 112.467 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.75 25.95 7.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 73.34 111.135 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.03 78.23 5.42 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.625 0.726 . . . . 74.45 110.888 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 83.93 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.646 2.231 . . . . 64.23 112.387 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.811 0.339 . . . . 74.32 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.38 -21.15 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.931 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -16.19 46.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 65.23 112.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -34.78 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 65.14 110.917 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -66.03 -54.68 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -56.44 -13.2 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.31 110.963 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -49.74 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.891 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -92.74 -20.5 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 64.41 110.951 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.3 m-85 -79.82 -44.88 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.891 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.11 77.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.913 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -40.76 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.863 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -36.44 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.905 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 23.3 ttm -66.12 -28.26 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.891 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.38 -12.24 26.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 75.35 110.884 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -34.06 48.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 61.41 110.909 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.55 24.69 9.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 44.55 112.454 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.96 64.11 0.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 61.45 112.462 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 143.63 51.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 72.1 112.363 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.16 54.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 75.24 112.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.93 -5.16 29.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 74.04 112.489 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.76 26.11 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 63.44 111.086 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -120.24 78.41 26.29 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 73.25 110.854 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 84.92 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 74.14 112.349 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.891 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.841 0.353 . . . . 72.34 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -21.32 56.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.894 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.72 -16.6 46.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 75.32 112.521 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -35.96 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 64.13 110.817 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -64.59 -55.3 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.902 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -55.91 -13.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.2 110.917 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -50.1 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 73.14 110.884 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -92.82 -20.1 21.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.942 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m-85 -80.13 -44.91 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.932 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.44 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -69.93 -40.74 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 75.43 110.9 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -73.65 -36.48 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.852 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 1.3 tmt? -66.13 -28.24 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 t -95.46 -12.14 26.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.894 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -52.52 -34.07 48.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 72.31 110.879 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.49 24.65 9.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 65.31 112.514 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.97 64.13 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.747 . . . . 74.42 112.473 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 143.64 51.25 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 75.05 112.326 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 158.98 55.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 72.53 112.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.92 -5.23 29.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 65.35 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.73 26.01 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 73.2 111.09 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 78.24 23.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 74.52 110.96 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 84.9 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 72.4 112.385 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 65.35 110.943 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.9 tptt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 75.14 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -23.15 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.966 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.17 -18.24 27.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 73.45 112.488 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -36.12 40.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 75.24 110.865 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.23 -55.33 19.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.886 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -55.72 -14.04 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 72.32 110.888 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -50.04 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.47 -18.67 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.899 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.7 m-85 -81.74 -45.18 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 75.43 110.904 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -25.63 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 70.12 110.903 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.72 -33.82 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.431 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.46 -40.1 62.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 74.03 110.844 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -26.82 64.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 73.1 110.851 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -93.55 -6.95 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.86 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.05 -28.11 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.883 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.8 27.23 13.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 75.25 112.478 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.36 64.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.726 -0.75 . . . . 75.43 112.469 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 144.53 53.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 72.24 112.316 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 144.35 54.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 71.31 112.388 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.54 -11.76 28.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 73.34 112.508 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 68.2 28.53 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 71.2 111.063 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.35 77.28 1.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.63 0.729 . . . . 75.22 110.927 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 88.27 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 74.41 112.361 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HG2' ' HB3' ' A' ' 12' ' ' MET . 1.1 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 70.21 110.923 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.842 0.353 . . . . 75.31 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -21.01 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.1 -16.18 47.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 63.03 112.506 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -35.05 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.44 110.869 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -65.92 -54.57 24.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -56.64 -13.07 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.918 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -49.7 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.87 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.73 -19.69 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 28.1 m-85 -81.55 -44.24 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.949 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -61.55 -34.86 76.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.939 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -34.11 57.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.848 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 ttp -75.83 -36.25 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 75.15 110.909 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 tpt -74.53 -25.95 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.91 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.5 t -95.84 -2.31 47.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 75.05 110.862 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -28.32 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.894 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.64 25.8 12.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 74.1 112.515 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.34 63.14 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 73.1 112.506 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 144.48 54.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 71.42 112.344 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 145.98 59.08 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 73.22 112.366 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.54 -12.39 27.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 74.22 112.459 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.72 28.23 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.72 0.295 . . . . 75.11 111.097 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.12 78.51 1.74 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 73.44 110.869 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 87.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 73.15 112.346 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 75.32 110.945 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.813 0.34 . . . . 72.3 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.566 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.71 -20.72 51.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.932 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.39 -15.97 47.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 52.01 112.503 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -35.77 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 71.32 110.917 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.06 -55.34 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 62.01 110.898 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -55.83 -14.01 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -50.32 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 70.02 110.839 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -92.77 -19.77 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.943 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -80.17 -44.61 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -34.24 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.894 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -41.38 77.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 65.32 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -37.84 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.897 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.885 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.811 0.338 . . . . 73.33 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -20.09 39.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.921 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.14 -16.64 42.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.428 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -35.97 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 73.34 110.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.08 -55.84 16.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 61.55 110.859 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -55.74 -14.05 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 70.22 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -77.64 -50.23 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.858 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -20.02 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.52 110.901 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -79.88 -44.61 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.934 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.36 77.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 74.1 110.95 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -41.37 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.864 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -38.03 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.869 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ttp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 54.22 110.889 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.829 0.347 . . . . 73.22 110.883 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.67 -20.74 50.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.921 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -16.01 47.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 63.53 112.503 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -35.82 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.389 . . . . 72.2 110.86 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.02 -55.3 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 74.02 110.924 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -55.81 -14.0 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.01 110.946 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -50.42 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 72.13 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -92.66 -20.16 21.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.31 110.93 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.73 -45.14 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.915 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.54 77.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.89 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -68.93 -41.46 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 61.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.31 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 63.52 110.882 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.3 ttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.871 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.806 0.336 . . . . 74.42 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.7 -20.85 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 60.33 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.25 -16.07 47.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 45.35 112.487 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -35.7 29.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 75.02 110.903 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.1 m-85 -65.12 -55.28 19.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 72.42 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -55.84 -13.98 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 55.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -50.41 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.859 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.59 -20.14 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 60.11 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.81 -45.0 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.918 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.46 77.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.896 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.99 -41.41 77.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.881 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -38.22 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.852 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.7 ttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 63.23 110.899 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.4 tptt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 74.13 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -57.76 -21.88 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.51 110.906 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -17.59 34.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 75.11 112.496 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -36.33 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 74.31 110.86 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 39.0 m-85 -65.03 -55.5 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.914 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -55.92 -13.97 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 64.44 110.897 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.72 -50.23 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.88 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.71 -20.21 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.888 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.7 -44.92 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 61.55 110.965 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.906 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -69.1 -41.39 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -38.34 68.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 61.2 110.876 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.2 ttm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.871 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 71.41 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.46 -22.06 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.938 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.84 44.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 74.22 112.503 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.03 -34.81 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 74.21 110.841 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.2 m-85 -66.03 -54.6 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.905 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -56.53 -13.34 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 71.1 110.901 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.55 -49.85 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.851 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.84 -20.64 20.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.872 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.8 m-85 -79.61 -45.22 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 63.23 110.91 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -63.31 -34.48 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 73.12 110.894 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.02 -41.5 77.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 64.32 110.85 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -38.31 69.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.886 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.2 tmm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.882 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.789 0.328 . . . . 54.55 110.896 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.38 -21.82 51.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.946 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -16.11 44.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 71.03 112.484 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.29 -32.78 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 61.33 110.905 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.66 -54.71 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 73.24 110.867 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -56.29 -14.05 2.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.904 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.03 -49.97 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 51.31 110.874 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -92.48 -20.22 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.93 -44.77 19.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.887 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -34.23 77.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.28 -41.36 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 62.04 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -37.94 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 70.24 110.846 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.804 0.335 . . . . 73.51 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.55 -21.59 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.891 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -15.96 45.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 73.43 112.482 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.47 -32.78 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 74.41 110.865 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.3 m-85 -67.57 -54.81 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.886 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -56.2 -14.18 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 65.13 110.932 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.8 -50.03 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.934 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -20.35 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.931 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.7 m-85 -79.95 -44.78 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.99 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.73 -34.31 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.887 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -41.44 77.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.03 110.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -37.9 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 ttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.928 179.903 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.776 0.322 . . . . 75.3 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.587 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -57.98 -21.37 44.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.894 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.3 -15.49 45.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 41.24 112.512 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.25 -31.85 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 75.11 110.844 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 28.3 m-85 -68.41 -54.28 18.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.894 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -56.49 -13.81 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.22 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 11.6 mtp180 -78.65 -49.61 12.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 70.42 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -92.54 -20.51 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.13 110.907 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.8 m-85 -79.75 -45.12 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.865 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -34.34 77.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.911 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -41.41 76.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.838 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.27 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.86 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.849 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 73.23 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.41 -21.68 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.936 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.96 -16.04 45.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 33.45 112.443 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.36 -32.78 29.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 75.34 110.853 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.62 -54.78 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.851 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -56.24 -14.17 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.87 -50.03 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 65.42 110.884 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -20.76 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.5 m-85 -79.43 -45.35 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.906 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -63.12 -34.55 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 73.4 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.97 -41.51 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.858 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -38.28 69.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 70.31 110.929 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.858 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.835 0.35 . . . . 72.43 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.574 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.48 -21.77 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 60.1 110.908 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.8 -16.14 44.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.4 112.5 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.31 -32.75 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 70.42 110.89 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.5 m-85 -67.65 -54.68 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 73.15 110.844 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -56.3 -14.11 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 52.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.04 -49.96 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.31 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -92.37 -20.55 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 61.11 110.921 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.58 -45.06 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.917 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -34.38 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.849 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -69.13 -41.43 77.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 54.15 110.872 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -38.27 68.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.0 ttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.928 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.801 0.334 . . . . 74.12 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -59.86 -22.17 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 61.3 110.973 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.52 42.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 65.1 112.455 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.58 -32.97 31.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 73.44 110.871 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 31.4 m-85 -67.68 -54.59 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.3 -14.12 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.54 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.98 -50.08 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.874 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -92.3 -20.56 20.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.924 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.0 m-85 -79.48 -45.23 19.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.921 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.861 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -69.1 -41.45 77.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 63.11 110.841 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -38.23 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 40.0 ttp . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.943 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 72.4 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.45 -19.9 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.887 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.6 -15.96 42.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 61.4 112.487 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -82.11 -33.71 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.52 110.936 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -67.2 -55.34 14.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 75.4 110.929 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -56.04 -14.17 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.882 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.9 -49.99 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.851 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -92.59 -20.42 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.903 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.4 m-85 -79.62 -45.11 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.901 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.34 77.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.911 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.14 -41.36 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.891 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.26 68.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 65.54 110.891 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 40.0 ttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.815 0.341 . . . . 65.43 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.31 -21.38 49.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.937 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.41 -16.88 37.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 40.31 112.468 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.26 -33.56 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 72.12 110.898 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.0 m-85 -67.29 -55.29 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -56.14 -14.09 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.0 -49.98 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.84 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -92.39 -20.53 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 44.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.55 -44.99 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 65.51 110.894 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -34.37 77.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 52.15 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -41.47 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.3 110.913 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.27 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 63.42 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 35.21 110.875 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.8 0.333 . . . . 74.02 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.406 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.37 -20.2 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 53.15 110.964 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.13 -16.63 41.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 55.13 112.529 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.11 -35.39 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 74.25 110.921 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 36.6 m-85 -65.8 -55.28 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 71.15 110.878 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -56.52 -12.47 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.93 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -79.73 -49.26 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.853 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -93.92 -17.9 22.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 65.32 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.9 m-85 -80.88 -46.16 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.903 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -63.26 -34.9 78.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 72.3 110.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -41.27 80.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.867 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -37.92 68.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.85 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 tptp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.827 0.346 . . . . 75.25 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -57.93 -21.54 44.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.927 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.79 -17.16 34.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 51.33 112.52 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -36.05 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 74.53 110.878 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.3 m-85 -64.78 -55.85 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.858 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -55.76 -13.19 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -49.51 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.08 -15.74 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.899 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.5 m-85 -83.0 -45.79 13.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.907 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -63.99 -34.26 77.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 73.13 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -41.2 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.33 110.874 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.81 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 61.51 110.871 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.872 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.811 0.339 . . . . 74.32 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.38 -21.15 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.931 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -16.19 46.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 65.23 112.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.73 -34.78 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 65.14 110.917 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -66.03 -54.68 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 64.13 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -56.44 -13.2 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.31 110.963 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.82 -49.74 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 54.51 110.891 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -92.74 -20.5 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 43.4 110.951 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.3 m-85 -79.82 -44.88 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.891 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.11 77.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.913 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -40.76 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.863 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -36.44 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.905 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.3 ttm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.891 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.841 0.353 . . . . 72.34 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.87 -21.32 56.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.72 -16.6 46.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 75.32 112.521 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -35.96 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 62.34 110.817 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -64.59 -55.3 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.902 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -55.91 -13.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.917 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -50.1 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.884 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -92.82 -20.1 21.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.942 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m-85 -80.13 -44.91 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.932 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 63.3 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -69.93 -40.74 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 54.43 110.9 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -36.48 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.852 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 55.35 110.893 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.9 tptt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 74.12 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -56.73 -23.15 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.966 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.17 -18.24 27.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 50.32 112.488 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -36.12 40.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 75.24 110.865 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.23 -55.33 19.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.886 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -55.72 -14.04 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 64.43 110.888 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -50.04 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.47 -18.67 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.899 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.7 m-85 -81.74 -45.18 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 71.31 110.904 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -25.63 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 53.12 110.903 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.72 -33.82 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -40.1 62.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 71.34 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 73.1 110.851 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.842 0.353 . . . . 51.34 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.44 -21.01 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.898 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.1 -16.18 47.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 54.44 112.506 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.62 -35.05 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.44 110.869 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -65.92 -54.57 24.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -56.64 -13.07 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.918 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.98 -49.7 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.87 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.73 -19.69 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 28.1 m-85 -81.55 -44.24 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.949 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -61.55 -34.86 76.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.939 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -34.11 57.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.848 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 ttp -75.83 -36.25 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 75.15 110.909 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.91 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.813 0.34 . . . . 72.3 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.566 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.71 -20.72 51.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.932 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.39 -15.97 47.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 52.01 112.503 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -35.77 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 71.32 110.917 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.06 -55.34 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 62.01 110.898 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -55.83 -14.01 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -50.32 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 70.02 110.839 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -92.77 -19.77 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.943 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -80.17 -44.61 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -34.24 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.894 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -41.38 77.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 65.32 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -37.84 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.897 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttt -63.78 -30.6 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.05 -11.85 29.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.846 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.33 -32.19 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 63.11 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.72 24.75 11.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.791 -0.719 . . . . 55.13 112.481 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.19 63.46 0.35 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.74 . . . . 75.2 112.482 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.81 143.27 50.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.669 2.246 . . . . 64.32 112.344 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 158.07 58.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.244 . . . . 71.52 112.342 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.85 -6.37 29.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 22.02 112.5 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.7 25.99 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 72.1 111.143 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.99 78.22 5.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.662 0.744 . . . . 71.03 110.84 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 83.87 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 74.32 112.385 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.869 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.811 0.338 . . . . 73.33 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -20.09 39.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.921 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.14 -16.64 42.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.428 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -35.97 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 73.34 110.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.08 -55.84 16.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 61.55 110.859 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -55.74 -14.05 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 70.22 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -77.64 -50.23 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.858 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -20.02 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.52 110.901 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -79.88 -44.61 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.934 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.36 77.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 74.1 110.95 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -41.37 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.864 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -38.03 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.869 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ttp -63.62 -30.64 71.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 54.22 110.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -94.01 -11.84 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.22 110.837 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.19 -32.04 22.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 54.3 110.864 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.5 24.71 11.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 70.24 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.21 63.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 74.3 112.521 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 54.0 Cg_endo -69.74 143.33 50.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 71.53 112.357 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 157.53 60.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.252 . . . . 64.54 112.35 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.83 -6.14 29.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 75.12 112.48 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.78 25.93 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 55.13 111.088 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.17 78.19 4.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.667 0.746 . . . . 74.53 110.89 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 82.15 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.652 2.235 . . . . 40.15 112.339 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.918 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.829 0.347 . . . . 73.22 110.883 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.67 -20.74 50.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.921 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -16.01 47.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 63.53 112.503 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -35.82 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.389 . . . . 72.2 110.86 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.02 -55.3 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 74.02 110.924 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -55.81 -14.0 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.01 110.946 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -50.42 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 72.13 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -92.66 -20.16 21.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.31 110.93 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.73 -45.14 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.915 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.54 77.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.89 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -68.93 -41.46 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 61.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.31 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 63.52 110.882 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 9.3 ttt -63.34 -29.85 71.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.871 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.71 -13.23 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.816 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.09 -33.04 24.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.54 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.53 24.15 9.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 31.25 112.507 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.15 63.75 0.36 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 65.41 112.491 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.8 143.02 49.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.248 . . . . 74.32 112.353 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.31 46.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 75.13 112.324 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.81 -5.3 29.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 61.11 112.499 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.73 25.85 7.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 63.22 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.89 78.74 31.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.658 0.742 . . . . 75.25 110.862 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.82 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 2.249 . . . . 74.41 112.35 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.908 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.806 0.336 . . . . 74.42 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.7 -20.85 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 60.33 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.25 -16.07 47.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 45.35 112.487 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -35.7 29.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 75.02 110.903 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.1 m-85 -65.12 -55.28 19.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 72.42 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -55.84 -13.98 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 55.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -50.41 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.859 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.59 -20.14 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 60.11 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.81 -45.0 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.918 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.46 77.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.896 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.99 -41.41 77.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.881 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -38.22 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.852 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 6.7 ttt -63.42 -29.72 70.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 63.23 110.899 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -13.2 27.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 63.22 110.821 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -33.01 24.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 71.15 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.53 24.08 9.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 44.41 112.504 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.23 63.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 74.51 112.496 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.449 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.4 Cg_endo -69.82 143.03 49.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 75.45 112.292 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.36 46.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 62.14 112.345 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.77 -5.25 29.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 34.43 112.508 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.7 25.84 8.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.697 0.284 . . . . 73.15 111.096 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.92 78.7 32.0 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.616 0.722 . . . . 54.52 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 84.82 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.262 . . . . 70.43 112.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 61.11 110.927 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.4 tptt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 74.13 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -57.76 -21.88 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.51 110.906 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -17.59 34.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 75.11 112.496 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -36.33 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 74.31 110.86 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 39.0 m-85 -65.03 -55.5 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.914 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -55.92 -13.97 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 64.44 110.897 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.72 -50.23 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.88 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.71 -20.21 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.888 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.7 -44.92 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 61.55 110.965 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.906 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -69.1 -41.39 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -38.34 68.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 61.2 110.876 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.433 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 23.2 ttm -63.32 -29.84 71.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.871 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -13.21 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 54.04 110.84 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.03 -33.1 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 61.51 110.868 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.65 24.07 9.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.749 . . . . 55.22 112.49 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.444 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.15 63.7 0.36 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.476 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.444 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.76 143.05 49.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 64.04 112.318 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.51 45.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 71.02 112.39 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.7 -5.27 29.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 72.2 112.501 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.72 25.97 7.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 74.23 111.104 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -121.11 78.73 33.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.65 0.738 . . . . 63.42 110.885 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 84.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.268 . . . . 43.11 112.356 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.914 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 71.41 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.46 -22.06 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.938 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.84 44.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 74.22 112.503 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.03 -34.81 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 74.21 110.841 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.2 m-85 -66.03 -54.6 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.905 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -56.53 -13.34 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 71.1 110.901 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.55 -49.85 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.851 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.84 -20.64 20.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.872 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.8 m-85 -79.61 -45.22 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 63.23 110.91 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -63.31 -34.48 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 73.12 110.894 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.02 -41.5 77.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 64.32 110.85 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -38.31 69.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.886 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.444 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 2.2 tmm? -63.41 -29.84 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.882 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.76 -13.07 27.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.879 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -33.01 25.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 65.32 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.48 24.24 9.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 64.01 112.48 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.22 63.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 34.11 112.508 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.76 142.98 49.4 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.727 2.285 . . . . 64.34 112.333 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 161.1 47.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.272 . . . . 60.21 112.337 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.81 -5.4 29.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.48 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.75 25.85 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 61.12 111.102 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -120.65 78.66 29.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 72.33 110.926 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 84.78 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 51.13 112.361 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 70.31 110.886 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.789 0.328 . . . . 54.55 110.896 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.38 -21.82 51.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.946 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -16.11 44.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 71.03 112.484 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.29 -32.78 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 61.33 110.905 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.66 -54.71 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 73.24 110.867 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -56.29 -14.05 2.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.904 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.03 -49.97 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 51.31 110.874 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -92.48 -20.22 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.93 -44.77 19.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.887 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -34.23 77.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.28 -41.36 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 62.04 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -37.94 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 ttt -63.79 -30.52 71.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 70.24 110.846 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 t -94.05 -11.85 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 63.21 110.847 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -32.17 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.886 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.75 24.72 11.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 74.21 112.464 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.21 63.48 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.477 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.74 143.33 50.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 61.01 112.383 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 157.56 59.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 74.33 112.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.86 -6.14 29.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 43.45 112.508 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.74 25.96 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 73.43 111.111 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -114.39 78.3 4.66 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 64.23 110.853 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 82.12 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 62.41 112.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 62.31 110.919 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.804 0.335 . . . . 73.51 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.55 -21.59 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.891 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -15.96 45.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 73.43 112.482 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.47 -32.78 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 74.41 110.865 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.3 m-85 -67.57 -54.81 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.886 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -56.2 -14.18 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 65.13 110.932 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.8 -50.03 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.934 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -20.35 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.931 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.7 m-85 -79.95 -44.78 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.99 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.73 -34.31 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.887 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -41.44 77.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.03 110.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -37.9 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 ttt -63.72 -30.61 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.928 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.05 -11.8 29.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 62.31 110.857 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -51.34 -32.34 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.45 110.881 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.98 24.64 11.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.508 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.18 63.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 53.12 112.485 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.2 Cg_endo -69.84 143.31 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.254 . . . . 74.44 112.294 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.1 58.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 63.41 112.35 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.81 -6.35 29.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 60.32 112.536 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.8 25.93 7.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.723 0.297 . . . . 74.34 111.066 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.0 78.23 5.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 60.22 110.921 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 83.73 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 54.4 112.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.927 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.776 0.322 . . . . 75.3 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.587 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -57.98 -21.37 44.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.894 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.3 -15.49 45.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 41.24 112.512 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.25 -31.85 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 75.11 110.844 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 28.3 m-85 -68.41 -54.28 18.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.894 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -56.49 -13.81 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.22 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 11.6 mtp180 -78.65 -49.61 12.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 70.42 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -92.54 -20.51 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.13 110.907 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.8 m-85 -79.75 -45.12 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.865 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -34.34 77.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.911 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -41.41 76.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.838 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.27 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.86 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 4.2 ttt -63.45 -29.76 71.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.849 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.69 -13.24 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 54.12 110.881 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.06 -33.09 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 52.24 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.64 24.09 9.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 52.53 112.529 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.18 63.73 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 71.4 112.487 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.78 142.99 49.33 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 61.41 112.322 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.36 46.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 73.4 112.315 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.76 -5.24 29.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 72.01 112.527 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.73 25.81 7.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 72.05 111.11 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -120.89 78.72 31.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 75.33 110.913 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 84.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 2.242 . . . . 73.5 112.369 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 71.1 110.942 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 73.23 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.41 -21.68 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.936 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.96 -16.04 45.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 33.45 112.443 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.36 -32.78 29.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 75.34 110.853 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.62 -54.78 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.851 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -56.24 -14.17 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.87 -50.03 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 65.42 110.884 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -20.76 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.5 m-85 -79.43 -45.35 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.906 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -63.12 -34.55 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 73.4 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.97 -41.51 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.858 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -38.28 69.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 70.31 110.929 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.437 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 6.9 ttt -63.42 -29.8 71.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.858 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.72 -13.16 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 70.3 110.86 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -32.99 25.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.904 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.55 24.18 9.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 61.22 112.472 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.445 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.16 63.7 0.36 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 63.51 112.488 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.78 142.97 49.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.267 . . . . 62.44 112.307 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 161.35 46.27 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.267 . . . . 75.32 112.304 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.75 -5.2 29.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 41.31 112.511 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.66 25.95 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.297 . . . . 53.05 111.089 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.93 78.69 32.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 61.12 110.92 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 84.79 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 71.31 112.327 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 53.53 110.891 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.835 0.35 . . . . 72.43 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.574 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.48 -21.77 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 60.1 110.908 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.8 -16.14 44.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.4 112.5 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.31 -32.75 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 70.42 110.89 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.5 m-85 -67.65 -54.68 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 73.15 110.844 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -56.3 -14.11 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 52.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.04 -49.96 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.31 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -92.37 -20.55 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 61.11 110.921 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.58 -45.06 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.917 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -34.38 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.849 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -69.13 -41.43 77.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 54.15 110.872 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -38.27 68.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 13.0 ttt -63.41 -29.75 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.928 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -93.73 -13.2 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.871 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -33.05 24.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 63.15 110.899 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.52 24.14 9.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 65.41 112.515 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.2 63.72 0.35 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 42.42 112.46 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.449 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.0 Cg_endo -69.82 143.03 49.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 73.34 112.33 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.25 46.64 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.706 2.271 . . . . 75.43 112.355 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.82 -5.26 29.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 71.53 112.474 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.67 25.86 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 74.13 111.12 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.79 78.7 30.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.695 0.759 . . . . 75.14 110.902 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 84.85 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.66 2.24 . . . . 70.03 112.336 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.958 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.801 0.334 . . . . 74.12 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -59.86 -22.17 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 61.3 110.973 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.52 42.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 65.1 112.455 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.58 -32.97 31.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 73.44 110.871 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 31.4 m-85 -67.68 -54.59 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.3 -14.12 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.54 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.98 -50.08 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.874 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -92.3 -20.56 20.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.924 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.0 m-85 -79.48 -45.23 19.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.921 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.861 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -69.1 -41.45 77.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 63.11 110.841 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -38.23 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 40.0 ttp -63.38 -29.82 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.943 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -93.72 -13.12 27.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 64.54 110.844 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.14 -33.08 25.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 63.2 110.869 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.58 24.12 9.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 52.03 112.509 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.2 63.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 73.05 112.487 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.4 Cg_endo -69.77 143.01 49.45 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.7 2.267 . . . . 72.45 112.342 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 161.3 46.46 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 71.14 112.316 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.8 -5.29 29.22 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.737 -0.744 . . . . 73.23 112.483 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.7 25.87 8.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 73.1 111.132 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -120.83 78.7 31.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.59 0.71 . . . . 65.32 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 60.1 112.317 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 64.4 110.933 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 72.4 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.45 -19.9 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.887 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.6 -15.96 42.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 61.4 112.487 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -82.11 -33.71 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.52 110.936 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -67.2 -55.34 14.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 75.4 110.929 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -56.04 -14.17 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.882 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.9 -49.99 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.851 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -92.59 -20.42 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.903 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.4 m-85 -79.62 -45.11 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.901 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.34 77.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.911 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.14 -41.36 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.891 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.26 68.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 65.54 110.891 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 40.0 ttp -63.41 -29.78 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -13.24 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 54.42 110.833 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -33.08 25.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 71.21 110.922 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.61 24.11 9.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 54.43 112.463 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.18 63.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 72.32 112.487 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.76 143.01 49.47 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.254 . . . . 73.31 112.341 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.35 46.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 73.04 112.347 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.77 -5.25 29.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 25.22 112.533 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.71 25.88 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 71.53 111.089 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -120.82 78.64 31.11 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.614 0.721 . . . . 63.31 110.935 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 84.79 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 43.12 112.361 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.936 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.815 0.341 . . . . 65.43 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.31 -21.38 49.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.937 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.41 -16.88 37.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 40.31 112.468 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.26 -33.56 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 72.12 110.898 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.0 m-85 -67.29 -55.29 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -56.14 -14.09 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.0 -49.98 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.84 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -92.39 -20.53 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 44.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.55 -44.99 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 65.51 110.894 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -34.37 77.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 52.15 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -41.47 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.3 110.913 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.27 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 63.42 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -63.45 -29.85 71.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 35.21 110.875 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.69 -13.08 27.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 63.4 110.883 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -51.15 -33.03 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 74.13 110.906 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.45 24.19 9.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 75.32 112.5 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.22 63.68 0.35 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 51.1 112.492 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.77 143.01 49.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.64 2.226 . . . . 62.53 112.371 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 161.04 47.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.262 . . . . 62.14 112.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.85 -5.35 29.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 42.33 112.449 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.63 25.96 8.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 75.3 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.58 78.65 29.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.67 0.747 . . . . 75.35 110.889 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 84.82 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 72.21 112.331 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.926 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.8 0.333 . . . . 74.02 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.406 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.37 -20.2 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 53.15 110.964 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.13 -16.63 41.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 55.13 112.529 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.11 -35.39 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 74.25 110.921 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 36.6 m-85 -65.8 -55.28 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 71.15 110.878 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -56.52 -12.47 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.93 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -79.73 -49.26 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.853 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -93.92 -17.9 22.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 65.32 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.9 m-85 -80.88 -46.16 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.903 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -63.26 -34.9 78.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 72.3 110.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -41.27 80.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.867 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -37.92 68.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttp -63.47 -30.64 71.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.85 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -94.02 -11.94 29.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 53.25 110.861 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -50.84 -32.17 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.882 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.87 24.65 11.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 72.41 112.51 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.19 63.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 71.42 112.5 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.3 Cg_endo -69.8 143.28 50.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 71.21 112.356 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.72 59.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.716 2.277 . . . . 73.21 112.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.87 -6.24 29.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 61.34 112.505 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.76 25.98 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 75.01 111.099 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.48 78.29 4.77 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.605 0.717 . . . . 72.14 110.853 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 82.06 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 32.42 112.353 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 64.33 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 tptp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.827 0.346 . . . . 75.25 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -57.93 -21.54 44.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.927 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.79 -17.16 34.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 51.33 112.52 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -36.05 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 74.53 110.878 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.3 m-85 -64.78 -55.85 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.858 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -55.76 -13.19 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -49.51 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.08 -15.74 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.899 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.5 m-85 -83.0 -45.79 13.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.907 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -63.99 -34.26 77.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 73.13 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -41.2 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.33 110.874 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.81 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 61.51 110.871 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt -63.46 -30.7 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.872 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.97 -12.07 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.877 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -31.83 19.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.883 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.49 24.68 11.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 42.42 112.457 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.441 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.17 63.5 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 63.14 112.501 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.4 Cg_endo -69.81 143.24 49.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 73.01 112.331 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 158.23 57.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 53.15 112.334 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.84 -6.54 29.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 73.11 112.467 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.75 25.95 7.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 61.34 111.135 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.03 78.23 5.42 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.625 0.726 . . . . 74.45 110.888 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 83.93 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.646 2.231 . . . . 64.23 112.387 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.811 0.339 . . . . 74.32 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.38 -21.15 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.931 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -16.19 46.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 65.23 112.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.73 -34.78 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 65.14 110.917 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -66.03 -54.68 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 64.13 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -56.44 -13.2 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.31 110.963 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.82 -49.74 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 54.51 110.891 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -92.74 -20.5 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 43.4 110.951 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.3 m-85 -79.82 -44.88 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.891 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.11 77.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.913 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -40.76 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.863 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -36.44 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.905 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.453 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 23.3 ttm -66.12 -28.26 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.891 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.38 -12.24 26.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 75.35 110.884 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -34.06 48.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 61.41 110.909 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.55 24.69 9.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 44.55 112.454 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.96 64.11 0.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 54.2 112.462 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.81 143.63 51.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 70.41 112.363 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.16 54.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 75.24 112.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.93 -5.16 29.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 22.35 112.489 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.76 26.11 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 53.11 111.086 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -120.24 78.41 26.29 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 73.25 110.854 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 84.92 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 70.24 112.349 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 71.22 110.891 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.841 0.353 . . . . 72.34 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.87 -21.32 56.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.72 -16.6 46.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 75.32 112.521 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -35.96 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 62.34 110.817 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -64.59 -55.3 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.902 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -55.91 -13.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.917 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -50.1 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.884 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -92.82 -20.1 21.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.942 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m-85 -80.13 -44.91 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.932 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 63.3 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -69.93 -40.74 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 54.43 110.9 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -73.65 -36.48 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.852 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 1.3 tmt? -66.13 -28.24 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 55.35 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 t -95.46 -12.14 26.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.894 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -52.52 -34.07 48.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 72.31 110.879 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.49 24.65 9.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 64.33 112.514 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.97 64.13 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.747 . . . . 70.24 112.473 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.81 143.64 51.25 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 74.41 112.326 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 158.98 55.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 72.53 112.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.92 -5.23 29.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 65.35 112.499 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.73 26.01 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 73.2 111.09 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 78.24 23.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 74.52 110.96 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 84.9 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 34.1 112.385 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.943 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.9 tptt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 74.12 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -56.73 -23.15 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.966 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.17 -18.24 27.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 50.32 112.488 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -36.12 40.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 75.24 110.865 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.23 -55.33 19.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.886 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -55.72 -14.04 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 64.43 110.888 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -50.04 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.47 -18.67 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.899 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' CD2' ' HG3' ' A' ' 24' ' ' GLN . 23.7 m-85 -81.74 -45.18 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 71.31 110.904 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -25.63 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 53.12 110.903 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.72 -33.82 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.436 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.46 -40.1 62.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 71.34 110.844 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -26.82 64.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 73.1 110.851 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -93.55 -6.95 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 73.04 110.86 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.05 -28.11 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.883 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.8 27.23 13.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 35.12 112.478 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.438 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 119.36 64.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.726 -0.75 . . . . 75.43 112.469 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.438 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.3 Cg_endo -69.86 144.53 53.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 72.24 112.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 144.35 54.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 70.31 112.388 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 111.54 -11.76 28.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 63.31 112.508 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 68.2 28.53 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 71.2 111.063 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.35 77.28 1.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.63 0.729 . . . . 75.22 110.927 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 88.27 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 74.41 112.361 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.1 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 70.21 110.923 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.842 0.353 . . . . 51.34 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.44 -21.01 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.898 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.1 -16.18 47.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 54.44 112.506 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.62 -35.05 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.44 110.869 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -65.92 -54.57 24.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -56.64 -13.07 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.918 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.98 -49.7 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.87 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.73 -19.69 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 28.1 m-85 -81.55 -44.24 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.949 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -61.55 -34.86 76.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.939 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -34.11 57.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.848 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 ttp -75.83 -36.25 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 75.15 110.909 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.416 ' HB2' ' HB2' ' A' ' 24' ' ' GLN . 7.0 tpt -74.53 -25.95 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.91 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.5 t -95.84 -2.31 47.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 51.41 110.862 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -28.32 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 73.4 110.894 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.64 25.8 12.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 72.32 112.515 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.452 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 117.34 63.14 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 73.1 112.506 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 54.2 Cg_endo -69.75 144.48 54.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 71.11 112.344 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 145.98 59.08 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 73.22 112.366 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 111.54 -12.39 27.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 74.22 112.459 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.72 28.23 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.72 0.295 . . . . 75.11 111.097 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.12 78.51 1.74 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 60.42 110.869 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 87.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 73.15 112.346 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 24' ' ' GLN . 3.0 mm100 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 75.32 110.945 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.813 0.34 . . . . 72.3 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.566 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.71 -20.72 51.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.932 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.39 -15.97 47.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 52.01 112.503 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -35.77 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 71.32 110.917 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.06 -55.34 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 62.01 110.898 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -55.83 -14.01 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -50.32 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 70.02 110.839 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -92.77 -19.77 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.943 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -80.17 -44.61 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -34.24 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.894 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -41.38 77.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 65.32 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -37.84 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.897 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.885 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.811 0.338 . . . . 73.33 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -20.09 39.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.921 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.14 -16.64 42.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.428 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -35.97 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 73.34 110.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.08 -55.84 16.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 61.55 110.859 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -55.74 -14.05 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 70.22 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -77.64 -50.23 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.858 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -20.02 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.52 110.901 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -79.88 -44.61 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.934 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.36 77.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 74.1 110.95 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -41.37 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.864 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -38.03 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.869 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ttp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 54.22 110.889 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.829 0.347 . . . . 73.22 110.883 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.67 -20.74 50.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.921 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -16.01 47.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 63.53 112.503 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -35.82 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.389 . . . . 72.2 110.86 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.02 -55.3 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 74.02 110.924 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -55.81 -14.0 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.01 110.946 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -50.42 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 72.13 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -92.66 -20.16 21.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.31 110.93 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.73 -45.14 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.915 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.54 77.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.89 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -68.93 -41.46 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 61.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.31 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 63.52 110.882 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.3 ttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.871 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.806 0.336 . . . . 74.42 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.7 -20.85 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 60.33 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.25 -16.07 47.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 45.35 112.487 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -35.7 29.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 75.02 110.903 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.1 m-85 -65.12 -55.28 19.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 72.42 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -55.84 -13.98 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 55.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -50.41 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.859 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.59 -20.14 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 60.11 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.81 -45.0 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.918 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.46 77.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.896 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.99 -41.41 77.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.881 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -38.22 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.852 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.7 ttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 63.23 110.899 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.4 tptt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 74.13 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -57.76 -21.88 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.51 110.906 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -17.59 34.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 75.11 112.496 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -36.33 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 74.31 110.86 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 39.0 m-85 -65.03 -55.5 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.914 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -55.92 -13.97 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 64.44 110.897 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.72 -50.23 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.88 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.71 -20.21 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.888 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.7 -44.92 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 61.55 110.965 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.906 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -69.1 -41.39 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -38.34 68.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 61.2 110.876 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.2 ttm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.871 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 71.41 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.46 -22.06 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.938 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.84 44.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 74.22 112.503 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.03 -34.81 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 74.21 110.841 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.2 m-85 -66.03 -54.6 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.905 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -56.53 -13.34 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 71.1 110.901 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.55 -49.85 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.851 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.84 -20.64 20.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.872 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.8 m-85 -79.61 -45.22 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 63.23 110.91 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -63.31 -34.48 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 73.12 110.894 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.02 -41.5 77.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 64.32 110.85 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -38.31 69.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.886 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.2 tmm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.882 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.789 0.328 . . . . 54.55 110.896 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.38 -21.82 51.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.946 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -16.11 44.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 71.03 112.484 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.29 -32.78 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 61.33 110.905 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.66 -54.71 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 73.24 110.867 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -56.29 -14.05 2.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.904 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.03 -49.97 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 51.31 110.874 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -92.48 -20.22 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.93 -44.77 19.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.887 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -34.23 77.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.28 -41.36 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 62.04 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -37.94 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 70.24 110.846 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.804 0.335 . . . . 73.51 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.55 -21.59 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.891 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -15.96 45.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 73.43 112.482 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.47 -32.78 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 74.41 110.865 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.3 m-85 -67.57 -54.81 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.886 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -56.2 -14.18 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 65.13 110.932 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.8 -50.03 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.934 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -20.35 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.931 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.7 m-85 -79.95 -44.78 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.99 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.73 -34.31 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.887 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -41.44 77.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.03 110.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -37.9 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 ttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.928 179.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.776 0.322 . . . . 75.3 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.587 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -57.98 -21.37 44.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.894 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.3 -15.49 45.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 41.24 112.512 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.25 -31.85 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 75.11 110.844 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 28.3 m-85 -68.41 -54.28 18.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.894 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -56.49 -13.81 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.22 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 11.6 mtp180 -78.65 -49.61 12.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 70.42 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -92.54 -20.51 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.13 110.907 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.8 m-85 -79.75 -45.12 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.865 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -34.34 77.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.911 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -41.41 76.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.838 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.27 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.86 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.849 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 73.23 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.41 -21.68 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.936 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.96 -16.04 45.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 33.45 112.443 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.36 -32.78 29.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 75.34 110.853 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.62 -54.78 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.851 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -56.24 -14.17 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.87 -50.03 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 65.42 110.884 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -20.76 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.5 m-85 -79.43 -45.35 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.906 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -63.12 -34.55 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 73.4 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.97 -41.51 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.858 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -38.28 69.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 70.31 110.929 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.858 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.835 0.35 . . . . 72.43 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.574 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.48 -21.77 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 60.1 110.908 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.8 -16.14 44.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.4 112.5 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.31 -32.75 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 70.42 110.89 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.5 m-85 -67.65 -54.68 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 73.15 110.844 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -56.3 -14.11 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 52.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.04 -49.96 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.31 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -92.37 -20.55 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 61.11 110.921 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.58 -45.06 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.917 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -34.38 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.849 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -69.13 -41.43 77.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 54.15 110.872 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -38.27 68.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.0 ttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.928 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.801 0.334 . . . . 74.12 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -59.86 -22.17 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 61.3 110.973 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.52 42.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 65.1 112.455 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.58 -32.97 31.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 73.44 110.871 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 31.4 m-85 -67.68 -54.59 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.3 -14.12 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.54 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.98 -50.08 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.874 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -92.3 -20.56 20.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.924 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.0 m-85 -79.48 -45.23 19.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.921 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.861 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -69.1 -41.45 77.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 63.11 110.841 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -38.23 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 40.0 ttp . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.943 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 72.4 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.45 -19.9 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.887 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.6 -15.96 42.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 61.4 112.487 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -82.11 -33.71 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.52 110.936 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -67.2 -55.34 14.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 75.4 110.929 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -56.04 -14.17 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.882 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.9 -49.99 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.851 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -92.59 -20.42 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.903 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.4 m-85 -79.62 -45.11 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.901 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.34 77.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.911 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.14 -41.36 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.891 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.26 68.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 65.54 110.891 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 40.0 ttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.815 0.341 . . . . 65.43 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.31 -21.38 49.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.937 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.41 -16.88 37.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 40.31 112.468 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.26 -33.56 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 72.12 110.898 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.0 m-85 -67.29 -55.29 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -56.14 -14.09 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.0 -49.98 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.84 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -92.39 -20.53 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 44.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.55 -44.99 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 65.51 110.894 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -34.37 77.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 52.15 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -41.47 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.3 110.913 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.27 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 63.42 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 35.21 110.875 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.8 0.333 . . . . 74.02 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.406 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.37 -20.2 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 53.15 110.964 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.13 -16.63 41.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 55.13 112.529 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.11 -35.39 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 74.25 110.921 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 36.6 m-85 -65.8 -55.28 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 71.15 110.878 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -56.52 -12.47 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.93 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -79.73 -49.26 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.853 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -93.92 -17.9 22.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 65.32 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.9 m-85 -80.88 -46.16 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.903 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -63.26 -34.9 78.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 72.3 110.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -41.27 80.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.867 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -37.92 68.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.85 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 tptp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.827 0.346 . . . . 75.25 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -57.93 -21.54 44.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.927 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.79 -17.16 34.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 51.33 112.52 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -36.05 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 74.53 110.878 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.3 m-85 -64.78 -55.85 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.858 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -55.76 -13.19 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -49.51 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.08 -15.74 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.899 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.5 m-85 -83.0 -45.79 13.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.907 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -63.99 -34.26 77.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 73.13 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -41.2 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.33 110.874 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.81 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 61.51 110.871 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.872 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.811 0.339 . . . . 74.32 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.38 -21.15 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.931 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -16.19 46.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 65.23 112.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.73 -34.78 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 65.14 110.917 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -66.03 -54.68 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 64.13 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -56.44 -13.2 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.31 110.963 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.82 -49.74 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 54.51 110.891 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -92.74 -20.5 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 43.4 110.951 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.3 m-85 -79.82 -44.88 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.891 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.11 77.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.913 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -40.76 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.863 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -36.44 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.905 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.3 ttm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.891 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.841 0.353 . . . . 72.34 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.87 -21.32 56.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.72 -16.6 46.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 75.32 112.521 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -35.96 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 62.34 110.817 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -64.59 -55.3 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.902 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -55.91 -13.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.917 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -50.1 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.884 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -92.82 -20.1 21.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.942 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m-85 -80.13 -44.91 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.932 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 63.3 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -69.93 -40.74 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 54.43 110.9 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -36.48 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.852 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 55.35 110.893 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.9 tptt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 74.12 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -56.73 -23.15 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.966 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.17 -18.24 27.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 50.32 112.488 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -36.12 40.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 75.24 110.865 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.23 -55.33 19.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.886 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -55.72 -14.04 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 64.43 110.888 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -50.04 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.47 -18.67 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.899 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.7 m-85 -81.74 -45.18 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 71.31 110.904 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -25.63 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 53.12 110.903 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.72 -33.82 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -40.1 62.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 71.34 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 73.1 110.851 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.842 0.353 . . . . 51.34 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.44 -21.01 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.898 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.1 -16.18 47.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 54.44 112.506 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.62 -35.05 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.44 110.869 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -65.92 -54.57 24.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -56.64 -13.07 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.918 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.98 -49.7 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.87 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.73 -19.69 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 28.1 m-85 -81.55 -44.24 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.949 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -61.55 -34.86 76.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.939 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -34.11 57.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.848 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 ttp -75.83 -36.25 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 75.15 110.909 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.91 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.813 0.34 . . . . 72.3 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.566 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.71 -20.72 51.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.932 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.39 -15.97 47.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 52.01 112.503 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -35.77 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 71.32 110.917 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.06 -55.34 19.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 62.01 110.898 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -55.83 -14.01 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.906 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -50.32 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 70.02 110.839 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -92.77 -19.77 21.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.943 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -80.17 -44.61 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -34.24 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.894 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.17 -41.38 77.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 65.32 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -37.84 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.897 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttt -63.78 -30.6 71.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.885 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.05 -11.85 29.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 63.24 110.846 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.33 -32.19 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 63.11 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.72 24.75 11.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.791 -0.719 . . . . 55.13 112.481 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.19 63.46 0.35 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.745 -0.74 . . . . 75.2 112.482 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.81 143.27 50.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.669 2.246 . . . . 64.32 112.344 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 158.07 58.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.244 . . . . 71.52 112.342 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.85 -6.37 29.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 22.02 112.5 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.7 25.99 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 72.1 111.143 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.99 78.22 5.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.662 0.744 . . . . 71.03 110.84 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 83.87 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 74.32 112.385 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.869 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.811 0.338 . . . . 73.33 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -20.09 39.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 71.42 110.921 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.14 -16.64 42.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 72.01 112.428 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -35.97 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 73.34 110.871 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.08 -55.84 16.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 61.55 110.859 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -55.74 -14.05 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 70.22 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -77.64 -50.23 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 63.52 110.858 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.67 -20.02 21.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.52 110.901 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.2 m-85 -79.88 -44.61 20.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.934 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.36 77.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 74.1 110.95 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -41.37 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.864 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -38.03 69.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.869 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ttp -63.62 -30.64 71.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 54.22 110.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -94.01 -11.84 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 75.22 110.837 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.19 -32.04 22.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 54.3 110.864 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.5 24.71 11.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 70.24 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.21 63.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 74.3 112.521 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 54.0 Cg_endo -69.74 143.33 50.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 71.53 112.357 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 157.53 60.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.252 . . . . 64.54 112.35 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.83 -6.14 29.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 75.12 112.48 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.78 25.93 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 55.13 111.088 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.17 78.19 4.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.667 0.746 . . . . 74.53 110.89 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 82.15 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.652 2.235 . . . . 40.15 112.339 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.918 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.829 0.347 . . . . 73.22 110.883 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.67 -20.74 50.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.921 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -16.01 47.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 63.53 112.503 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -35.82 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.389 . . . . 72.2 110.86 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.0 m-85 -65.02 -55.3 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 74.02 110.924 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -55.81 -14.0 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.01 110.946 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -50.42 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 72.13 110.901 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -92.66 -20.16 21.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 72.31 110.93 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.73 -45.14 19.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.915 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.54 77.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.89 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -68.93 -41.46 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 61.34 110.876 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.31 69.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 63.52 110.882 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 9.3 ttt -63.34 -29.85 71.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.871 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.71 -13.23 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.816 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.09 -33.04 24.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.54 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.53 24.15 9.63 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 31.25 112.507 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.15 63.75 0.36 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 65.41 112.491 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.8 143.02 49.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.248 . . . . 74.32 112.353 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 161.31 46.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 75.13 112.324 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.81 -5.3 29.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 61.11 112.499 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.73 25.85 7.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 63.22 111.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.89 78.74 31.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.658 0.742 . . . . 75.25 110.862 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.82 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 2.249 . . . . 74.41 112.35 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.908 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.806 0.336 . . . . 74.42 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.7 -20.85 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 60.33 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.25 -16.07 47.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 45.35 112.487 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -35.7 29.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 75.02 110.903 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 37.1 m-85 -65.12 -55.28 19.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 72.42 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -55.84 -13.98 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 55.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -50.41 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.859 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -92.59 -20.14 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 60.11 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.81 -45.0 19.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.918 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.46 77.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 74.14 110.896 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -68.99 -41.41 77.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 75.02 110.881 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -38.22 68.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.852 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 6.7 ttt -63.42 -29.72 70.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 63.23 110.899 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -13.2 27.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 63.22 110.821 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -33.01 24.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 71.15 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.53 24.08 9.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 44.41 112.504 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.23 63.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 74.51 112.496 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.449 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.4 Cg_endo -69.82 143.03 49.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 75.45 112.292 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.36 46.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 62.14 112.345 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.77 -5.25 29.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.762 . . . . 34.43 112.508 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.7 25.84 8.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.697 0.284 . . . . 73.15 111.096 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.92 78.7 32.0 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.616 0.722 . . . . 54.52 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 84.82 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.262 . . . . 70.43 112.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 61.11 110.927 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.4 tptt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 74.13 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.408 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -57.76 -21.88 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.51 110.906 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -17.59 34.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 75.11 112.496 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -36.33 36.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 74.31 110.86 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 39.0 m-85 -65.03 -55.5 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.914 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -55.92 -13.97 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 64.44 110.897 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.72 -50.23 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.88 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.71 -20.21 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.888 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.7 -44.92 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 61.55 110.965 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -34.39 77.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.906 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -69.1 -41.39 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.845 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -38.34 68.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 61.2 110.876 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.433 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 23.2 ttm -63.32 -29.84 71.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.871 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -13.21 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 54.04 110.84 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.03 -33.1 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 61.51 110.868 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.65 24.07 9.6 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.749 . . . . 55.22 112.49 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.444 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.15 63.7 0.36 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.476 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.444 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.6 Cg_endo -69.76 143.05 49.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 64.04 112.318 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.51 45.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 71.02 112.39 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.7 -5.27 29.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.79 -0.719 . . . . 72.2 112.501 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.72 25.97 7.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 74.23 111.104 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -121.11 78.73 33.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.65 0.738 . . . . 63.42 110.885 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 84.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.268 . . . . 43.11 112.356 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.914 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.812 0.339 . . . . 71.41 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.46 -22.06 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.938 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.84 44.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 74.22 112.503 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.03 -34.81 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 74.21 110.841 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.2 m-85 -66.03 -54.6 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.905 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -56.53 -13.34 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 71.1 110.901 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.55 -49.85 12.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.851 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.84 -20.64 20.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.872 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.8 m-85 -79.61 -45.22 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 63.23 110.91 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -63.31 -34.48 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 73.12 110.894 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.02 -41.5 77.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 64.32 110.85 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -38.31 69.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.886 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.444 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 2.2 tmm? -63.41 -29.84 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.882 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.76 -13.07 27.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.879 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -33.01 25.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 65.32 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.48 24.24 9.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 64.01 112.48 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.22 63.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 34.11 112.508 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.76 142.98 49.4 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.727 2.285 . . . . 64.34 112.333 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 161.1 47.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.272 . . . . 60.21 112.337 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.81 -5.4 29.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 61.3 112.48 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.75 25.85 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 61.12 111.102 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -120.65 78.66 29.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 72.33 110.926 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 84.78 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 51.13 112.361 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.444 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 70.31 110.886 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.789 0.328 . . . . 54.55 110.896 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.38 -21.82 51.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.946 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -16.11 44.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 71.03 112.484 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.29 -32.78 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 61.33 110.905 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.66 -54.71 17.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 73.24 110.867 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -56.29 -14.05 2.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 75.3 110.904 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.03 -49.97 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 51.31 110.874 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -92.48 -20.22 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.93 -44.77 19.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.887 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -34.23 77.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.873 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.28 -41.36 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 62.04 110.89 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -37.94 69.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 ttt -63.79 -30.52 71.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 70.24 110.846 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 t -94.05 -11.85 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 63.21 110.847 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -32.17 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.886 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.75 24.72 11.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 74.21 112.464 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.21 63.48 0.35 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 74.42 112.477 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.74 143.33 50.59 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 61.01 112.383 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 157.56 59.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 74.33 112.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.86 -6.14 29.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 43.45 112.508 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.74 25.96 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 73.43 111.111 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -114.39 78.3 4.66 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 64.23 110.853 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 82.12 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 62.41 112.342 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 62.31 110.919 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.804 0.335 . . . . 73.51 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.55 -21.59 53.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.891 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -15.96 45.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 73.43 112.482 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.47 -32.78 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 74.41 110.865 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.3 m-85 -67.57 -54.81 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.886 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -56.2 -14.18 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 65.13 110.932 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.8 -50.03 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.934 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -20.35 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.931 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.7 m-85 -79.95 -44.78 19.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.99 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -63.73 -34.31 77.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.887 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.12 -41.44 77.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 64.03 110.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -37.9 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.888 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 ttt -63.72 -30.61 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.928 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.05 -11.8 29.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 62.31 110.857 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -51.34 -32.34 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.45 110.881 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.98 24.64 11.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.508 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.18 63.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 53.12 112.485 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.2 Cg_endo -69.84 143.31 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.254 . . . . 74.44 112.294 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.1 58.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 63.41 112.35 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.81 -6.35 29.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.732 . . . . 60.32 112.536 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.8 25.93 7.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.723 0.297 . . . . 74.34 111.066 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.0 78.23 5.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 60.22 110.921 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 83.73 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 54.4 112.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.927 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.776 0.322 . . . . 75.3 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.587 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -57.98 -21.37 44.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.894 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.3 -15.49 45.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 41.24 112.512 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.25 -31.85 26.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 75.11 110.844 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 28.3 m-85 -68.41 -54.28 18.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.894 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -56.49 -13.81 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.22 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 11.6 mtp180 -78.65 -49.61 12.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 70.42 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -92.54 -20.51 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.13 110.907 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.8 m-85 -79.75 -45.12 19.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.865 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -34.34 77.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.911 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -41.41 76.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.838 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.27 68.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.86 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 4.2 ttt -63.45 -29.76 71.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.849 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.69 -13.24 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 54.12 110.881 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.06 -33.09 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 52.24 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.64 24.09 9.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 52.53 112.529 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.18 63.73 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 71.4 112.487 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.5 Cg_endo -69.78 142.99 49.33 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 61.41 112.322 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.36 46.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 73.4 112.315 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.76 -5.24 29.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 72.01 112.527 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.73 25.81 7.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 72.05 111.11 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -120.89 78.72 31.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 75.33 110.913 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 84.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 2.242 . . . . 73.5 112.369 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 71.1 110.942 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.856 0.36 . . . . 73.23 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.41 -21.68 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.936 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.96 -16.04 45.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 33.45 112.443 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.36 -32.78 29.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 75.34 110.853 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.4 m-85 -67.62 -54.78 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.851 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -56.24 -14.17 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.87 -50.03 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 65.42 110.884 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -20.76 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.5 m-85 -79.43 -45.35 19.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.906 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -63.12 -34.55 77.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 73.4 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.97 -41.51 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.858 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -38.28 69.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 70.31 110.929 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.437 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 6.9 ttt -63.42 -29.8 71.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.858 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.72 -13.16 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 70.3 110.86 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -32.99 25.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.904 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.55 24.18 9.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 61.22 112.472 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.445 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.16 63.7 0.36 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 63.51 112.488 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.7 Cg_endo -69.78 142.97 49.28 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.267 . . . . 62.44 112.307 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 161.35 46.27 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.267 . . . . 75.32 112.304 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.75 -5.2 29.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 41.31 112.511 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.66 25.95 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.297 . . . . 53.05 111.089 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.93 78.69 32.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 61.12 110.92 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 84.79 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 71.31 112.327 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 53.53 110.891 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.835 0.35 . . . . 72.43 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.574 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.48 -21.77 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 60.1 110.908 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.8 -16.14 44.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.4 112.5 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -82.31 -32.75 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 70.42 110.89 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 30.5 m-85 -67.65 -54.68 17.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 73.15 110.844 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -56.3 -14.11 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 52.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.04 -49.96 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.31 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -92.37 -20.55 20.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 61.11 110.921 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 23.9 m-85 -79.58 -45.06 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.917 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -34.38 77.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 75.31 110.849 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -69.13 -41.43 77.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 54.15 110.872 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -38.27 68.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.02 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 13.0 ttt -63.41 -29.75 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.928 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -93.73 -13.2 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.871 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -33.05 24.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 63.15 110.899 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.52 24.14 9.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 65.41 112.515 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.2 63.72 0.35 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 42.42 112.46 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.449 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.0 Cg_endo -69.82 143.03 49.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 73.34 112.33 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.25 46.64 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.706 2.271 . . . . 75.43 112.355 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.82 -5.26 29.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 71.53 112.474 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.67 25.86 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 74.13 111.12 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.79 78.7 30.95 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.695 0.759 . . . . 75.14 110.902 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 84.85 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.66 2.24 . . . . 70.03 112.336 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.958 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.801 0.334 . . . . 74.12 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -59.86 -22.17 61.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 61.3 110.973 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -16.52 42.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 65.1 112.455 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.58 -32.97 31.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 73.44 110.871 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 31.4 m-85 -67.68 -54.59 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.867 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.3 -14.12 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.54 110.879 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.98 -50.08 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.874 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -92.3 -20.56 20.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.924 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.0 m-85 -79.48 -45.23 19.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.921 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 73.43 110.861 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -69.1 -41.45 77.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 63.11 110.841 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -38.23 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.917 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 40.0 ttp -63.38 -29.82 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 63.25 110.943 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -93.72 -13.12 27.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 64.54 110.844 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.14 -33.08 25.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 63.2 110.869 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.58 24.12 9.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 52.03 112.509 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.2 63.7 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 73.05 112.487 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.4 Cg_endo -69.77 143.01 49.45 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.7 2.267 . . . . 72.45 112.342 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 161.3 46.46 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 71.14 112.316 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.8 -5.29 29.22 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.737 -0.744 . . . . 73.23 112.483 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.7 25.87 8.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 73.1 111.132 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -120.83 78.7 31.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.59 0.71 . . . . 65.32 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 60.1 112.317 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 64.4 110.933 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 72.4 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.45 -19.9 40.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.887 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.6 -15.96 42.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 61.4 112.487 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -82.11 -33.71 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.52 110.936 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -67.2 -55.34 14.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 75.4 110.929 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -56.04 -14.17 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 74.31 110.882 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.9 -49.99 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.851 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -92.59 -20.42 20.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.903 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.4 m-85 -79.62 -45.11 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.901 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.34 77.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.911 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -69.14 -41.36 77.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.891 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -38.26 68.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 65.54 110.891 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 40.0 ttp -63.41 -29.78 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 71.52 110.883 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -13.24 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 54.42 110.833 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -33.08 25.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 71.21 110.922 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.61 24.11 9.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 54.43 112.463 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.18 63.72 0.36 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 72.32 112.487 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.76 143.01 49.47 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.254 . . . . 73.31 112.341 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.35 46.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.256 . . . . 73.04 112.347 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.77 -5.25 29.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 25.22 112.533 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.71 25.88 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 71.53 111.089 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -120.82 78.64 31.11 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.614 0.721 . . . . 63.31 110.935 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 84.79 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.667 2.245 . . . . 43.12 112.361 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.936 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.815 0.341 . . . . 65.43 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.31 -21.38 49.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.937 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.41 -16.88 37.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 40.31 112.468 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.26 -33.56 32.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 72.12 110.898 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.0 m-85 -67.29 -55.29 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -56.14 -14.09 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.931 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.0 -49.98 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.84 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -92.39 -20.53 20.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 44.11 110.898 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 24.1 m-85 -79.55 -44.99 20.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 65.51 110.894 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -34.37 77.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 52.15 110.88 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -41.47 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.3 110.913 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -38.27 69.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 63.42 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -63.45 -29.85 71.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 35.21 110.875 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.69 -13.08 27.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 63.4 110.883 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -51.15 -33.03 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 74.13 110.906 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.45 24.19 9.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 75.32 112.5 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.22 63.68 0.35 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 51.1 112.492 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.9 Cg_endo -69.77 143.01 49.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.64 2.226 . . . . 62.53 112.371 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 161.04 47.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.262 . . . . 62.14 112.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.85 -5.35 29.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 42.33 112.449 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.63 25.96 8.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 75.3 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.58 78.65 29.23 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.67 0.747 . . . . 75.35 110.889 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 84.82 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 72.21 112.331 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.926 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.8 0.333 . . . . 74.02 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.406 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.37 -20.2 41.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 53.15 110.964 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.13 -16.63 41.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 55.13 112.529 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -81.11 -35.39 31.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 74.25 110.921 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 36.6 m-85 -65.8 -55.28 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 71.15 110.878 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -56.52 -12.47 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.93 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -79.73 -49.26 12.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.853 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -93.92 -17.9 22.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 65.32 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.9 m-85 -80.88 -46.16 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.903 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -63.26 -34.9 78.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 72.3 110.875 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.38 -41.27 80.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.867 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -37.92 68.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 ttp -63.47 -30.64 71.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 71.3 110.85 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -94.02 -11.94 29.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 53.25 110.861 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -50.84 -32.17 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.882 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.87 24.65 11.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 72.41 112.51 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.19 63.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 71.42 112.5 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.3 Cg_endo -69.8 143.28 50.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 71.21 112.356 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.72 59.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.716 2.277 . . . . 73.21 112.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.87 -6.24 29.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 61.34 112.505 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.76 25.98 7.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 75.01 111.099 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.48 78.29 4.77 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.605 0.717 . . . . 72.14 110.853 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 82.06 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 32.42 112.353 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 64.33 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 tptp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.827 0.346 . . . . 75.25 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -57.93 -21.54 44.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.927 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.79 -17.16 34.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 51.33 112.52 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -36.05 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 74.53 110.878 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.3 m-85 -64.78 -55.85 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.858 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -55.76 -13.19 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.02 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -49.51 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.08 -15.74 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.899 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 20.5 m-85 -83.0 -45.79 13.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.907 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -63.99 -34.26 77.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 73.13 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -41.2 78.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.33 110.874 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.81 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 61.51 110.871 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.2 ttt -63.46 -30.7 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.872 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.97 -12.07 29.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.877 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -31.83 19.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.883 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.49 24.68 11.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 42.42 112.457 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.441 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.17 63.5 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 63.14 112.501 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.4 Cg_endo -69.81 143.24 49.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 73.01 112.331 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 158.23 57.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 53.15 112.334 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.84 -6.54 29.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 73.11 112.467 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.75 25.95 7.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 61.34 111.135 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.03 78.23 5.42 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.625 0.726 . . . . 74.45 110.888 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 83.93 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.646 2.231 . . . . 64.23 112.387 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.811 0.339 . . . . 74.32 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.575 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.38 -21.15 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.931 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.99 -16.19 46.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 65.23 112.53 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.73 -34.78 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 65.14 110.917 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -66.03 -54.68 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 64.13 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -56.44 -13.2 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.31 110.963 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.82 -49.74 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 54.51 110.891 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -92.74 -20.5 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 43.4 110.951 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.3 m-85 -79.82 -44.88 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.891 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -34.11 77.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 74.3 110.913 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.97 -40.76 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.863 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -36.44 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 70.24 110.905 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.453 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 23.3 ttm -66.12 -28.26 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.891 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.38 -12.24 26.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 75.35 110.884 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.52 -34.06 48.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 61.41 110.909 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.55 24.69 9.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.792 -0.718 . . . . 44.55 112.454 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.96 64.11 0.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 54.2 112.462 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.81 143.63 51.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 70.41 112.363 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.16 54.46 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 75.24 112.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.93 -5.16 29.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 22.35 112.489 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.76 26.11 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 53.11 111.086 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -120.24 78.41 26.29 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 73.25 110.854 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 84.92 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 70.24 112.349 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 71.22 110.891 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.841 0.353 . . . . 72.34 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.87 -21.32 56.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.72 -16.6 46.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 75.32 112.521 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -35.96 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 62.34 110.817 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.4 m-85 -64.59 -55.3 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.902 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -55.91 -13.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.917 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -50.1 12.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 72.32 110.884 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -92.82 -20.1 21.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.942 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 25.5 m-85 -80.13 -44.91 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.932 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.13 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 63.3 110.886 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -69.93 -40.74 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 54.43 110.9 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -73.65 -36.48 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.03 110.852 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB2' ' HB3' ' A' ' 24' ' ' GLN . 1.3 tmt? -66.13 -28.24 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 55.35 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 t -95.46 -12.14 26.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.894 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -52.52 -34.07 48.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 72.31 110.879 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.49 24.65 9.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 64.33 112.514 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 116.97 64.13 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.747 . . . . 70.24 112.473 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.8 Cg_endo -69.81 143.64 51.25 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 74.41 112.326 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 158.98 55.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 72.53 112.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 110.92 -5.23 29.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 65.35 112.499 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.73 26.01 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 73.2 111.09 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 78.24 23.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 74.52 110.96 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 84.9 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 34.1 112.385 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 13' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.943 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.9 tptt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 74.12 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -56.73 -23.15 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.54 110.966 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.17 -18.24 27.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 50.32 112.488 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -36.12 40.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 75.24 110.865 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 38.2 m-85 -65.23 -55.33 19.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.886 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -55.72 -14.04 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 64.43 110.888 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -50.04 12.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.858 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.47 -18.67 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 75.11 110.899 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' CD2' ' HG3' ' A' ' 24' ' ' GLN . 23.7 m-85 -81.74 -45.18 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 71.31 110.904 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -25.63 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 53.12 110.903 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.72 -33.82 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.55 110.835 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.436 ' HB3' ' HG2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.46 -40.1 62.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 71.34 110.844 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -26.82 64.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 73.1 110.851 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -93.55 -6.95 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 73.04 110.86 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.05 -28.11 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.883 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.8 27.23 13.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 35.12 112.478 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.438 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 119.36 64.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.726 -0.75 . . . . 75.43 112.469 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.438 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 53.3 Cg_endo -69.86 144.53 53.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 72.24 112.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 144.35 54.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.267 . . . . 70.31 112.388 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 111.54 -11.76 28.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 63.31 112.508 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 68.2 28.53 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 71.2 111.063 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.35 77.28 1.59 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.63 0.729 . . . . 75.22 110.927 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 88.27 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 74.41 112.361 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HG3' ' CD2' ' A' ' 9' ' ' TYR . 1.1 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 70.21 110.923 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.842 0.353 . . . . 51.34 110.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -58.44 -21.01 49.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.898 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.1 -16.18 47.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 54.44 112.506 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.62 -35.05 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 71.44 110.869 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 35.4 m-85 -65.92 -54.57 24.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -56.64 -13.07 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.918 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -78.98 -49.7 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.87 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.73 -19.69 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 28.1 m-85 -81.55 -44.24 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.949 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -61.55 -34.86 76.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.939 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -34.11 57.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.848 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 ttp -75.83 -36.25 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 75.15 110.909 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.416 ' HB2' ' HB2' ' A' ' 24' ' ' GLN . 7.0 tpt -74.53 -25.95 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.91 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.5 t -95.84 -2.31 47.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 51.41 110.862 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.36 -28.32 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 73.4 110.894 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.64 25.8 12.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 72.32 112.515 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.452 ' H ' ' HD3' ' A' ' 18' ' ' PRO . . . 117.34 63.14 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 73.1 112.506 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' H ' ' A' ' 17' ' ' GLY . 54.2 Cg_endo -69.75 144.48 54.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 71.11 112.344 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 145.98 59.08 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 73.22 112.366 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 111.54 -12.39 27.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 74.22 112.459 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 20' ' ' GLY . . . 67.72 28.23 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.72 0.295 . . . . 75.11 111.097 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.12 78.51 1.74 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.675 0.75 . . . . 60.42 110.869 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 87.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 73.15 112.346 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 13' ' ' MET . 3.3 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 75.32 110.945 -179.988 . . . . . . . . 1 1 . 1 stop_ save_