data_1s4j_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 1s4j _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 ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -75.92 -1.22 24.45 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -129.1 -69.03 0.72 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.207 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -146.19 -48.27 0.2 Allowed 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.991 0.807 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.435 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -135.3 -167.8 2.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.74 11.5 5.75 Favored Glycine 0 C--N 1.348 1.203 0 O-C-N 123.261 0.351 . . . . 0.0 112.301 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -87.97 -169.05 2.42 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.022 0.929 . . . . 0.0 110.414 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' C ' HD11 ' A' ' 11' ' ' LEU . . . -119.66 90.57 0.48 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.47 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.5 mp 59.53 31.06 20.74 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.035 0.934 . . . . 0.0 112.72 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.42 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 2.2 m-85 . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.567 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -79.92 2.66 22.57 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -129.82 -64.27 0.88 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.262 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.3 p-10 -144.04 -56.87 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.838 0.711 . . . . 0.0 110.612 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt -136.89 -173.82 3.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.76 27.54 3.36 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.635 0.585 . . . . 0.0 112.574 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.421 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -90.05 -92.35 0.13 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.81 83.89 0.06 OUTLIER Glycine 0 C--N 1.339 0.704 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.836 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.59 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.4 mp 56.22 45.52 23.02 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.107 0.963 . . . . 0.0 112.695 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE2' ' HD2' ' A' ' 9' ' ' PHE . 1.8 m-85 . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.314 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.98 3.38 23.16 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -129.56 -64.57 0.88 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.388 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 7' ' ' MET . 9.8 t70 -146.4 -53.88 0.25 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.918 0.761 . . . . 0.0 109.732 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.434 ' HG2' ' OD1' ' A' ' 6' ' ' ASP . 26.5 mmt -134.73 179.9 6.01 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.188 0.93 . . . . 0.0 111.191 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.05 26.48 4.88 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.358 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.95 -81.36 0.29 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.411 0.685 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.62 84.93 0.06 OUTLIER Glycine 0 C--N 1.336 0.555 0 O-C-N 123.49 0.494 . . . . 0.0 112.88 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 56.04 45.83 22.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.254 1.022 . . . . 0.0 112.745 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.469 0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.225 179.283 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -74.53 -4.14 35.11 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.415 ' OD1' HD12 ' A' ' 11' ' ' LEU . 55.1 m-20 -126.02 -62.12 1.19 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.991 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -153.24 -50.8 0.1 Allowed 'General case' 0 C--N 1.347 0.478 0 O-C-N 124.101 0.875 . . . . 0.0 109.136 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt -135.1 -14.26 2.05 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.378 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 9.97 19.5 Favored Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.176 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -83.46 -78.74 0.21 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.589 0.756 . . . . 0.0 111.29 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.94 77.3 0.06 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.549 0.531 . . . . 0.0 112.772 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.63 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.3 mp 53.15 58.13 5.6 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.987 0.915 . . . . 0.0 112.688 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--O 1.236 0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.218 179.745 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -79.62 2.33 22.84 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -129.75 -64.01 0.9 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.283 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 p-10 -143.95 -57.42 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.952 0.783 . . . . 0.0 110.585 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -136.91 -173.51 3.47 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.49 26.6 3.48 Favored Glycine 0 C--N 1.345 1.072 0 O-C-N 123.62 0.575 . . . . 0.0 112.622 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.54 -92.45 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.39 0.676 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.49 83.79 0.06 OUTLIER Glycine 0 C--N 1.339 0.697 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.986 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.618 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.3 mp 56.22 45.51 23.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.997 0.919 . . . . 0.0 112.768 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CE2' ' HD2' ' A' ' 9' ' ' PHE . 1.8 m-85 . . . . . 0 N--CA 1.469 0.5 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.308 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.9 0.97 22.06 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -129.11 -63.41 0.95 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.047 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 p-10 -144.31 -58.21 0.37 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.028 0.83 . . . . 0.0 110.515 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.99 -169.51 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.701 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.55 27.33 3.32 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 123.518 0.511 . . . . 0.0 112.589 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.417 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.4 -97.69 0.1 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.465 0.706 . . . . 0.0 110.988 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.25 85.22 0.06 OUTLIER Glycine 0 C--N 1.341 0.849 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.892 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.6 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.4 mp 55.92 48.42 18.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.216 1.006 . . . . 0.0 112.922 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.486 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 C--O 1.239 0.546 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.34 1.3 22.35 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.21 -62.92 0.97 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.135 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.52 -58.49 0.37 Allowed 'General case' 0 C--N 1.346 0.446 0 O-C-N 123.957 0.786 . . . . 0.0 110.502 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.7 mmm -138.08 -170.37 2.78 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.259 0.975 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.14 25.21 4.31 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.648 0.592 . . . . 0.0 112.462 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.2 m-85 -90.37 -93.23 0.13 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.604 0.762 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.2 84.16 0.06 OUTLIER Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.775 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 56.25 45.04 23.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 112.735 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.469 0.496 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.352 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -78.66 1.57 22.4 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -129.21 -63.84 0.93 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.193 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 p-10 -143.96 -57.79 0.39 Allowed 'General case' 0 C--O 1.237 0.423 0 O-C-N 124.014 0.821 . . . . 0.0 110.564 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.36 -171.6 3.01 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 124.317 1.011 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.07 27.26 3.12 Favored Glycine 0 C--N 1.345 1.073 0 O-C-N 123.661 0.601 . . . . 0.0 112.68 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.409 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.32 -96.83 0.1 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.62 84.82 0.06 OUTLIER Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.998 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.98 51.91 12.74 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.246 1.018 . . . . 0.0 112.977 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.7 m-85 . . . . . 0 C--O 1.239 0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.116 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -77.4 0.02 24.09 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -130.15 -70.72 0.62 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -146.81 -44.69 0.18 Allowed 'General case' 0 C--N 1.347 0.466 0 O-C-N 123.873 0.733 . . . . 0.0 110.393 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.458 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -134.76 -170.08 2.48 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.363 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.89 15.92 2.86 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.472 0.482 . . . . 0.0 112.55 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.458 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -90.98 -159.56 0.64 Allowed 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.966 0.906 . . . . 0.0 110.087 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -134.69 91.95 0.24 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.005 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.9 mt 74.92 -18.97 0.41 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.522 1.129 . . . . 0.0 111.09 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.9 m-85 . . . . . 0 N--CA 1.474 0.744 0 O-C-N 124.089 0.868 . . . . 0.0 111.74 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.17 -3.22 28.43 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -126.31 -64.17 1.05 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.814 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -148.91 -53.71 0.18 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 124.07 0.856 . . . . 0.0 110.083 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.457 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.6 mmm -138.02 -157.74 0.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.088 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.5 22.98 2.02 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 112.203 -0.359 . . . . 0.0 112.203 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.457 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -91.92 -159.12 0.62 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.882 0.873 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.95 88.57 0.18 Allowed Glycine 0 C--N 1.338 0.641 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.75 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.613 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.4 mp 57.43 43.81 22.47 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.079 0.952 . . . . 0.0 113.241 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.469 0.524 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.308 179.028 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -77.92 -0.15 26.45 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -128.49 -64.27 0.95 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.796 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -145.22 -61.84 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 O-C-N 124.024 0.828 . . . . 0.0 110.29 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -124.43 179.85 4.76 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.175 0.922 . . . . 0.0 111.425 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.58 32.13 3.18 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.796 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.0 -87.78 0.25 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.354 0.661 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.53 86.02 0.06 OUTLIER Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.158 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.621 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.3 mp 55.1 49.76 16.76 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.065 0.946 . . . . 0.0 112.972 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--O 1.24 0.564 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.123 179.266 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -78.65 -0.16 28.89 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.85 -73.85 0.36 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.917 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -156.01 96.59 1.73 Allowed 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.455 ' C ' ' H ' ' A' ' 9' ' ' PHE . 26.5 mmt 63.87 -170.08 0.19 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.77 0.828 . . . . 0.0 111.035 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.75 12.92 3.35 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 123.38 0.425 . . . . 0.0 112.558 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -86.2 -161.92 0.69 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.921 0.888 . . . . 0.0 110.406 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.39 89.81 0.28 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.55 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 57.37 41.8 25.84 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.225 1.01 . . . . 0.0 113.062 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 1.9 m-85 . . . . . 0 N--CA 1.469 0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.395 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 5' ' ' ASP . 75.0 p . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.711 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 10.0 p-10 44.28 13.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.772 1.229 . . . . 0.0 112.379 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 3' ' ' SER . 9.8 t70 -100.75 -77.24 0.54 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -136.9 -6.44 1.88 Allowed 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.572 0.545 . . . . 0.0 111.62 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.1 mtp -83.19 170.97 14.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.68 0.613 . . . . 0.0 110.921 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.54 20.07 6.53 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.509 0.506 . . . . 0.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.97 177.38 6.09 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.829 0.851 . . . . 0.0 110.889 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.76 92.3 0.15 Allowed Glycine 0 C--N 1.336 0.563 0 O-C-N 123.594 0.559 . . . . 0.0 112.687 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.711 ' H ' ' HB3' ' A' ' 4' ' ' ASP . 5.3 mp 56.27 46.55 20.97 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.217 1.007 . . . . 0.0 113.249 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.468 0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.419 179.008 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 121.366 0.603 . . . . 0.0 109.414 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.58 -66.87 0.75 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.666 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 7' ' ' MET . 8.7 p-10 -147.97 -59.6 0.25 Allowed 'General case' 0 C--O 1.237 0.44 0 O-C-N 124.066 0.854 . . . . 0.0 109.937 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.438 ' HG3' ' OD2' ' A' ' 6' ' ' ASP . 59.8 mtm -118.16 -170.51 1.9 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.29 0.994 . . . . 0.0 110.703 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.93 17.39 2.86 Favored Glycine 0 C--N 1.348 1.247 0 O-C-N 123.55 0.531 . . . . 0.0 112.727 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -92.52 -159.21 0.65 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.798 0.839 . . . . 0.0 110.063 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -133.7 93.69 0.26 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.2 mt 74.82 -19.08 0.4 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.59 1.156 . . . . 0.0 111.094 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.8 m-85 . . . . . 0 N--CA 1.473 0.686 0 O-C-N 124.074 0.859 . . . . 0.0 111.746 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 p . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.4 1.57 21.64 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -129.36 -63.4 0.94 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.62 -57.87 0.36 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.905 0.753 . . . . 0.0 110.468 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.82 -170.67 2.82 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.268 0.98 . . . . 0.0 110.804 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.52 26.79 3.91 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 123.58 0.55 . . . . 0.0 112.516 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.3 m-85 -89.89 -93.27 0.12 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.489 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.72 84.15 0.06 OUTLIER Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.874 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mp 56.81 43.11 25.6 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.053 0.941 . . . . 0.0 112.699 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.437 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.469 0.504 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.393 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.51 3.08 22.76 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -129.32 -65.06 0.87 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.397 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -147.09 -55.88 0.24 Allowed 'General case' 0 C--N 1.346 0.443 0 O-C-N 123.891 0.744 . . . . 0.0 109.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.558 ' HE3' ' HA ' ' A' ' 7' ' ' MET . 7.6 mmt -127.62 175.78 8.01 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.301 1.0 . . . . 0.0 111.246 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.57 26.72 5.63 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.095 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -89.6 -75.43 0.45 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.529 0.732 . . . . 0.0 111.245 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.97 85.0 0.06 OUTLIER Glycine 0 C--N 1.335 0.498 0 O-C-N 123.54 0.525 . . . . 0.0 112.918 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.4 mp 57.15 40.98 27.82 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.095 0.958 . . . . 0.0 112.536 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.468 0.463 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.339 179.289 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -78.94 1.66 22.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.32 -64.32 0.9 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.307 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.429 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 p-10 -143.67 -57.96 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.946 0.779 . . . . 0.0 110.664 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.509 ' HE1' ' HA ' ' A' ' 7' ' ' MET . 6.2 mmt -135.28 -173.59 3.38 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 124.307 1.004 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.49 27.8 3.2 Favored Glycine 0 C--N 1.345 1.078 0 O-C-N 123.643 0.589 . . . . 0.0 112.624 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.413 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.6 m-85 -89.21 -94.71 0.1 Allowed 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.449 0.699 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.76 84.67 0.06 OUTLIER Glycine 0 C--N 1.339 0.748 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.89 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mp 56.15 47.73 18.9 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.09 0.956 . . . . 0.0 112.875 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 C--O 1.24 0.589 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.13 2.67 23.19 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' OD2' HD12 ' A' ' 11' ' ' LEU . 52.2 m-20 -138.0 -71.27 0.43 Allowed 'General case' 0 C--N 1.346 0.435 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.177 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.585 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.7 t70 -156.4 86.66 1.01 Allowed 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 63.99 -171.4 0.18 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.892 0.877 . . . . 0.0 111.554 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.53 21.93 5.01 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 123.526 0.516 . . . . 0.0 112.328 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.449 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.1 m-85 -88.36 -102.78 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.674 0.789 . . . . 0.0 110.776 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.04 82.43 0.06 OUTLIER Glycine 0 C--N 1.343 0.928 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.782 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.635 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.2 mp 52.99 57.46 6.32 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.103 0.961 . . . . 0.0 112.822 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.5 m-85 . . . . . 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.298 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.41 3.19 22.11 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 11' ' ' LEU . 52.3 m-20 -138.46 -72.86 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.21 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.525 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.8 t70 -154.98 84.88 1.08 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 64.25 -166.66 0.22 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.797 0.839 . . . . 0.0 111.245 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.35 23.22 4.82 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.328 0.392 . . . . 0.0 112.239 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.445 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.2 m-85 -88.23 -107.69 0.07 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.539 0.736 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.98 85.07 0.06 OUTLIER Glycine 0 C--N 1.344 0.981 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.968 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.634 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.3 mp 53.33 57.72 5.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.13 0.972 . . . . 0.0 113.085 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.6 m-85 . . . . . 0 C--O 1.238 0.482 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.122 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.38 -0.52 23.01 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -128.0 -62.62 1.05 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.97 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -146.47 -57.28 0.28 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 124.064 0.852 . . . . 0.0 110.291 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.4 mmm -138.27 -168.42 2.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.356 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.43 25.04 5.21 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 123.496 0.497 . . . . 0.0 112.12 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.44 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.1 m-85 -92.9 -101.3 0.13 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.648 0.779 . . . . 0.0 110.676 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.457 ' O ' ' HD1' ' A' ' 12' ' ' PHE . . . -178.17 85.31 0.07 OUTLIER Glycine 0 C--N 1.342 0.916 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.659 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 62.5 mt 75.16 -63.98 0.39 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.457 1.103 . . . . 0.0 111.774 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HD1' ' O ' ' A' ' 10' ' ' GLY . 1.8 m-85 . . . . . 0 N--CA 1.489 1.513 0 C-N-CA 124.82 1.248 . . . . 0.0 113.999 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.651 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 50.1 mt-10 -126.01 -68.13 0.84 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.931 0.769 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p 55.53 10.82 0.53 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.228 1.011 . . . . 0.0 113.265 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.625 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.3 p-10 -75.92 -1.22 24.45 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -129.1 -69.03 0.72 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.207 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -146.19 -48.27 0.2 Allowed 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.991 0.807 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.435 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -135.3 -167.8 2.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.651 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -73.74 11.5 5.75 Favored Glycine 0 C--N 1.348 1.203 0 O-C-N 123.261 0.351 . . . . 0.0 112.301 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -87.97 -169.05 2.42 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.022 0.929 . . . . 0.0 110.414 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' C ' HD11 ' A' ' 11' ' ' LEU . . . -119.66 90.57 0.48 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.47 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.5 mp 59.53 31.06 20.74 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.035 0.934 . . . . 0.0 112.72 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.42 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 2.2 m-85 -81.1 167.09 20.1 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.567 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.206 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.453 ' N ' ' HA3' ' A' ' 8' ' ' GLY . 37.7 tt0 . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.637 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -95.8 -70.05 0.73 Allowed 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.88 0.737 . . . . 0.0 111.455 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 p 53.47 8.44 0.13 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.999 0.919 . . . . 0.0 113.473 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.6 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.6 p-10 -79.92 2.66 22.57 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -129.82 -64.27 0.88 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.262 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.3 p-10 -144.04 -56.87 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.838 0.711 . . . . 0.0 110.612 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt -136.89 -173.82 3.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.637 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.76 27.54 3.36 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.635 0.585 . . . . 0.0 112.574 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.421 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -90.05 -92.35 0.13 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.81 83.89 0.06 OUTLIER Glycine 0 C--N 1.339 0.704 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.836 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.59 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.4 mp 56.22 45.52 23.02 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.107 0.963 . . . . 0.0 112.695 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE2' ' HD2' ' A' ' 9' ' ' PHE . 1.8 m-85 -88.8 171.48 9.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.314 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.087 -179.844 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.536 ' H1 ' ' HA3' ' A' ' 8' ' ' GLY . 37.8 tt0 . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.58 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 8.5 mp0 -94.27 -71.12 0.68 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.922 0.764 . . . . 0.0 111.51 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 p 53.05 8.31 0.1 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.58 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.2 p-10 -80.98 3.38 23.16 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -129.56 -64.57 0.88 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.388 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 7' ' ' MET . 9.8 t70 -146.4 -53.88 0.25 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.918 0.761 . . . . 0.0 109.732 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.434 ' HG2' ' OD1' ' A' ' 6' ' ' ASP . 26.5 mmt -134.73 179.9 6.01 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.188 0.93 . . . . 0.0 111.191 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.551 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -84.05 26.48 4.88 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.358 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.95 -81.36 0.29 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.411 0.685 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.62 84.93 0.06 OUTLIER Glycine 0 C--N 1.336 0.555 0 O-C-N 123.49 0.494 . . . . 0.0 112.88 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 56.04 45.83 22.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.254 1.022 . . . . 0.0 112.745 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -89.52 172.04 9.27 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.225 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.141 -179.827 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -98.91 -45.94 5.8 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.928 0.767 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p 57.51 17.2 3.74 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.338 1.055 . . . . 0.0 112.874 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -74.53 -4.14 35.11 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.415 ' OD1' HD12 ' A' ' 11' ' ' LEU . 55.1 m-20 -126.02 -62.12 1.19 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.991 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -153.24 -50.8 0.1 Allowed 'General case' 0 C--N 1.347 0.478 0 O-C-N 124.101 0.875 . . . . 0.0 109.136 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt -135.1 -14.26 2.05 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.378 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 9.97 19.5 Favored Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.176 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -83.46 -78.74 0.21 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.589 0.756 . . . . 0.0 111.29 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.94 77.3 0.06 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.549 0.531 . . . . 0.0 112.772 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.63 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.3 mp 53.15 58.13 5.6 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.987 0.915 . . . . 0.0 112.688 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -95.46 172.21 8.22 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.218 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.216 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.665 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -95.18 -68.74 0.79 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.93 0.769 . . . . 0.0 111.418 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p 53.31 8.69 0.12 Allowed 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.61 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.9 p-10 -79.62 2.33 22.84 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -129.75 -64.01 0.9 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.283 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 p-10 -143.95 -57.42 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.952 0.783 . . . . 0.0 110.585 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -136.91 -173.51 3.47 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.665 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.49 26.6 3.48 Favored Glycine 0 C--N 1.345 1.072 0 O-C-N 123.62 0.575 . . . . 0.0 112.622 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.54 -92.45 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.39 0.676 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.49 83.79 0.06 OUTLIER Glycine 0 C--N 1.339 0.697 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.986 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.618 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.3 mp 56.22 45.51 23.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.997 0.919 . . . . 0.0 112.768 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CE2' ' HD2' ' A' ' 9' ' ' PHE . 1.8 m-85 -88.79 171.09 10.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.308 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.15 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.667 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -117.34 -68.0 0.95 Allowed 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.962 0.789 . . . . 0.0 111.242 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p 54.0 9.7 0.23 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.087 0.955 . . . . 0.0 113.362 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.638 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.3 p-10 -77.9 0.97 22.06 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -129.11 -63.41 0.95 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.047 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.725 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.9 p-10 -144.31 -58.21 0.37 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.028 0.83 . . . . 0.0 110.515 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.99 -169.51 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.701 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.667 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.55 27.33 3.32 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 123.518 0.511 . . . . 0.0 112.589 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.417 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.4 -97.69 0.1 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.465 0.706 . . . . 0.0 110.988 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.25 85.22 0.06 OUTLIER Glycine 0 C--N 1.341 0.849 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.892 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.6 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.4 mp 55.92 48.42 18.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.216 1.006 . . . . 0.0 112.922 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -90.77 6.56 43.69 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.725 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.8 t70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.302 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.655 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -117.65 -68.31 0.93 Allowed 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.906 0.754 . . . . 0.0 111.277 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p 53.81 9.36 0.19 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.063 0.945 . . . . 0.0 113.402 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.638 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.2 p-10 -78.34 1.3 22.35 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.21 -62.92 0.97 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.135 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.52 -58.49 0.37 Allowed 'General case' 0 C--N 1.346 0.446 0 O-C-N 123.957 0.786 . . . . 0.0 110.502 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.7 mmm -138.08 -170.37 2.78 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.259 0.975 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.655 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -82.14 25.21 4.31 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.648 0.592 . . . . 0.0 112.462 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.2 m-85 -90.37 -93.23 0.13 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.604 0.762 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.2 84.16 0.06 OUTLIER Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.775 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 56.25 45.04 23.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 112.735 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -88.91 169.71 11.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.352 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.208 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.675 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -95.92 -68.0 0.82 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.909 0.755 . . . . 0.0 111.312 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p 53.76 8.97 0.17 Allowed 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.638 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.1 p-10 -78.66 1.57 22.4 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -129.21 -63.84 0.93 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.193 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.731 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.9 p-10 -143.96 -57.79 0.39 Allowed 'General case' 0 C--O 1.237 0.423 0 O-C-N 124.014 0.821 . . . . 0.0 110.564 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.36 -171.6 3.01 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 124.317 1.011 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.675 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.07 27.26 3.12 Favored Glycine 0 C--N 1.345 1.073 0 O-C-N 123.661 0.601 . . . . 0.0 112.68 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.32 -96.83 0.1 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.62 84.82 0.06 OUTLIER Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.998 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.98 51.91 12.74 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.246 1.018 . . . . 0.0 112.977 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.7 m-85 -93.12 5.82 50.14 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.116 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.731 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 38.0 t70 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.304 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.677 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 53.0 mm-40 -126.92 -71.06 0.69 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.964 0.79 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p 55.05 9.25 0.3 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.207 1.003 . . . . 0.0 113.279 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.609 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.6 p-10 -77.4 0.02 24.09 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -130.15 -70.72 0.62 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD2' ' HA ' ' A' ' 13' ' ' ASP . 8.9 p-10 -146.81 -44.69 0.18 Allowed 'General case' 0 C--N 1.347 0.466 0 O-C-N 123.873 0.733 . . . . 0.0 110.393 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.458 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -134.76 -170.08 2.48 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.363 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.677 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -73.89 15.92 2.86 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.472 0.482 . . . . 0.0 112.55 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.458 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -90.98 -159.56 0.64 Allowed 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.966 0.906 . . . . 0.0 110.087 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -134.69 91.95 0.24 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.005 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.9 mt 74.92 -18.97 0.41 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.522 1.129 . . . . 0.0 111.09 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.9 m-85 -68.91 127.77 34.29 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.089 0.868 . . . . 0.0 111.74 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 38.0 t70 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.212 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.612 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 9.4 mp0 -106.87 -72.11 0.73 Allowed 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.973 0.795 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p 54.77 12.15 0.55 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.967 0.907 . . . . 0.0 112.936 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.612 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.6 p-10 -74.17 -3.22 28.43 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -126.31 -64.17 1.05 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.814 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -148.91 -53.71 0.18 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 124.07 0.856 . . . . 0.0 110.083 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.457 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.6 mmm -138.02 -157.74 0.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.088 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.5 22.98 2.02 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 112.203 -0.359 . . . . 0.0 112.203 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.457 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -91.92 -159.12 0.62 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.882 0.873 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.95 88.57 0.18 Allowed Glycine 0 C--N 1.338 0.641 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.75 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.613 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.4 mp 57.43 43.81 22.47 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.079 0.952 . . . . 0.0 113.241 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -89.5 -10.79 44.96 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.308 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.158 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.585 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -116.45 -75.56 0.58 Allowed 'General case' 0 C--O 1.236 0.357 0 O-C-N 124.002 0.813 . . . . 0.0 111.598 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p 52.59 9.31 0.11 Allowed 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.0 p-10 -77.92 -0.15 26.45 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -128.49 -64.27 0.95 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.796 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.6 p-10 -145.22 -61.84 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 O-C-N 124.024 0.828 . . . . 0.0 110.29 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -124.43 179.85 4.76 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.175 0.922 . . . . 0.0 111.425 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.585 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -83.58 32.13 3.18 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.796 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.0 -87.78 0.25 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.354 0.661 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.53 86.02 0.06 OUTLIER Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.158 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.621 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.3 mp 55.1 49.76 16.76 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.065 0.946 . . . . 0.0 112.972 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -91.65 8.62 35.96 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.123 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.8 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.284 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.303 0.097 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.738 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 5.7 mm-40 -127.19 -73.16 0.62 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.923 0.764 . . . . 0.0 110.731 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p 56.47 1.81 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.579 1.152 . . . . 0.0 113.545 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 9.0 p-10 -78.65 -0.16 28.89 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.85 -73.85 0.36 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.917 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -156.01 96.59 1.73 Allowed 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.455 ' C ' ' H ' ' A' ' 9' ' ' PHE . 26.5 mmt 63.87 -170.08 0.19 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.77 0.828 . . . . 0.0 111.035 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.738 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -72.75 12.92 3.35 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 123.38 0.425 . . . . 0.0 112.558 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -86.2 -161.92 0.69 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.921 0.888 . . . . 0.0 110.406 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.39 89.81 0.28 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.55 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 57.37 41.8 25.84 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.225 1.01 . . . . 0.0 113.062 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.425 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 1.9 m-85 -87.85 167.91 13.37 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.395 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.174 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.484 ' HB3' ' OE2' ' A' ' 2' ' ' GLU . 37.8 tt0 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.484 ' OE2' ' HB3' ' A' ' 1' ' ' GLU . 8.4 mp0 -112.73 -41.76 3.74 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 123.93 0.768 . . . . 0.0 110.811 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 5' ' ' ASP . 75.0 p 55.36 167.47 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.519 1.127 . . . . 0.0 112.826 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.711 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 10.0 p-10 44.28 13.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.772 1.229 . . . . 0.0 112.379 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.494 ' H ' ' C ' ' A' ' 3' ' ' SER . 9.8 t70 -100.75 -77.24 0.54 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -136.9 -6.44 1.88 Allowed 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.572 0.545 . . . . 0.0 111.62 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.1 mtp -83.19 170.97 14.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.68 0.613 . . . . 0.0 110.921 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.54 20.07 6.53 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.509 0.506 . . . . 0.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.97 177.38 6.09 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.829 0.851 . . . . 0.0 110.889 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.76 92.3 0.15 Allowed Glycine 0 C--N 1.336 0.563 0 O-C-N 123.594 0.559 . . . . 0.0 112.687 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.711 ' H ' ' HB3' ' A' ' 4' ' ' ASP . 5.3 mp 56.27 46.55 20.97 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.217 1.007 . . . . 0.0 113.249 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -90.49 168.97 11.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.419 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.161 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.7 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 53.4 mm-40 -130.12 -70.35 0.63 Allowed 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.897 0.748 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p 54.56 10.05 0.31 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.986 0.915 . . . . 0.0 113.227 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.629 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.8 p-10 -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 121.366 0.603 . . . . 0.0 109.414 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.58 -66.87 0.75 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.666 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.461 ' OD2' ' HA ' ' A' ' 13' ' ' ASP . 8.7 p-10 -147.97 -59.6 0.25 Allowed 'General case' 0 C--O 1.237 0.44 0 O-C-N 124.066 0.854 . . . . 0.0 109.937 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.438 ' HG3' ' OD2' ' A' ' 6' ' ' ASP . 59.8 mtm -118.16 -170.51 1.9 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.29 0.994 . . . . 0.0 110.703 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.7 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -74.93 17.39 2.86 Favored Glycine 0 C--N 1.348 1.247 0 O-C-N 123.55 0.531 . . . . 0.0 112.727 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -92.52 -159.21 0.65 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.798 0.839 . . . . 0.0 110.063 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -133.7 93.69 0.26 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.2 mt 74.82 -19.08 0.4 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.59 1.156 . . . . 0.0 111.094 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.8 m-85 -69.68 127.9 34.57 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 124.074 0.859 . . . . 0.0 111.746 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 38.0 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.197 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.649 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -117.57 -68.64 0.9 Allowed 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.947 0.78 . . . . 0.0 111.184 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 p 53.81 9.51 0.2 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.09 0.956 . . . . 0.0 113.391 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.64 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.2 p-10 -78.4 1.57 21.64 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -129.36 -63.4 0.94 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.62 -57.87 0.36 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.905 0.753 . . . . 0.0 110.468 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.82 -170.67 2.82 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.268 0.98 . . . . 0.0 110.804 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.649 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -82.52 26.79 3.91 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 123.58 0.55 . . . . 0.0 112.516 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.3 m-85 -89.89 -93.27 0.12 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.489 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.72 84.15 0.06 OUTLIER Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.874 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mp 56.81 43.11 25.6 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.053 0.941 . . . . 0.0 112.699 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -87.45 171.32 10.64 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.393 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 124.416 1.086 . . . . 0.0 111.344 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.431 ' HG3' ' HA3' ' A' ' 8' ' ' GLY . 37.9 tt0 . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.577 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 8.7 mp0 -93.69 -72.27 0.62 Allowed 'General case' 0 C--O 1.236 0.395 0 O-C-N 123.902 0.751 . . . . 0.0 111.525 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p 53.32 8.71 0.13 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.2 p-10 -80.51 3.08 22.76 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -129.32 -65.06 0.87 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.397 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -147.09 -55.88 0.24 Allowed 'General case' 0 C--N 1.346 0.443 0 O-C-N 123.891 0.744 . . . . 0.0 109.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.558 ' HE3' ' HA ' ' A' ' 7' ' ' MET . 7.6 mmt -127.62 175.78 8.01 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.301 1.0 . . . . 0.0 111.246 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.475 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -85.57 26.72 5.63 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.095 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -89.6 -75.43 0.45 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.529 0.732 . . . . 0.0 111.245 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.97 85.0 0.06 OUTLIER Glycine 0 C--N 1.335 0.498 0 O-C-N 123.54 0.525 . . . . 0.0 112.918 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.4 mp 57.15 40.98 27.82 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.095 0.958 . . . . 0.0 112.536 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -86.19 171.99 10.87 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.339 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.213 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.454 ' H1 ' ' HA3' ' A' ' 8' ' ' GLY . 37.6 tt0 . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.62 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 8.5 mp0 -95.87 -70.1 0.73 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 123.877 0.736 . . . . 0.0 111.417 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p 53.74 8.87 0.16 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.062 0.945 . . . . 0.0 113.358 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.62 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.8 p-10 -78.94 1.66 22.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.32 -64.32 0.9 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.307 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.61 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.9 p-10 -143.67 -57.96 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.946 0.779 . . . . 0.0 110.664 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.509 ' HE1' ' HA ' ' A' ' 7' ' ' MET . 6.2 mmt -135.28 -173.59 3.38 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 124.307 1.004 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.613 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.49 27.8 3.2 Favored Glycine 0 C--N 1.345 1.078 0 O-C-N 123.643 0.589 . . . . 0.0 112.624 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.413 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.6 m-85 -89.21 -94.71 0.1 Allowed 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.449 0.699 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.76 84.67 0.06 OUTLIER Glycine 0 C--N 1.339 0.748 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.89 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mp 56.15 47.73 18.9 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.09 0.956 . . . . 0.0 112.875 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -90.25 8.72 31.77 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.046 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.9 t70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.297 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.73 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -98.07 -65.78 0.94 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.93 0.769 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p 55.43 1.69 0.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.458 1.103 . . . . 0.0 113.847 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.569 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 9.7 p-10 -80.13 2.67 23.19 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' OD2' HD12 ' A' ' 11' ' ' LEU . 52.2 m-20 -138.0 -71.27 0.43 Allowed 'General case' 0 C--N 1.346 0.435 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.177 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.585 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.7 t70 -156.4 86.66 1.01 Allowed 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 63.99 -171.4 0.18 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.892 0.877 . . . . 0.0 111.554 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.73 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -80.53 21.93 5.01 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 123.526 0.516 . . . . 0.0 112.328 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.449 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.1 m-85 -88.36 -102.78 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.674 0.789 . . . . 0.0 110.776 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.04 82.43 0.06 OUTLIER Glycine 0 C--N 1.343 0.928 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.782 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.635 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.2 mp 52.99 57.46 6.32 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.103 0.961 . . . . 0.0 112.822 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.5 m-85 -95.28 172.39 8.13 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.298 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.171 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.434 ' H3 ' ' HA3' ' A' ' 8' ' ' GLY . 37.9 tt0 . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.559 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 8.5 mp0 -98.48 -67.44 0.85 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.929 0.768 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p 55.61 2.81 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.43 1.092 . . . . 0.0 113.791 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.559 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 9.7 p-10 -80.41 3.19 22.11 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 11' ' ' LEU . 52.3 m-20 -138.46 -72.86 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.21 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 9.8 t70 -154.98 84.88 1.08 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 64.25 -166.66 0.22 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.797 0.839 . . . . 0.0 111.245 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.537 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.35 23.22 4.82 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.328 0.392 . . . . 0.0 112.239 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.445 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.2 m-85 -88.23 -107.69 0.07 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.539 0.736 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.98 85.07 0.06 OUTLIER Glycine 0 C--N 1.344 0.981 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.968 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.634 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.3 mp 53.33 57.72 5.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.13 0.972 . . . . 0.0 113.085 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.6 m-85 -96.33 3.07 53.21 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.122 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.542 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 37.8 t70 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.265 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.65 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 8.6 mp0 -114.34 -68.05 0.95 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.951 0.782 . . . . 0.0 111.211 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p 54.45 11.56 0.43 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.979 0.912 . . . . 0.0 113.13 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.65 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.4 p-10 -76.38 -0.52 23.01 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -128.0 -62.62 1.05 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.97 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.454 ' HB3' ' OXT' ' A' ' 13' ' ' ASP . 9.8 p-10 -146.47 -57.28 0.28 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 124.064 0.852 . . . . 0.0 110.291 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.4 mmm -138.27 -168.42 2.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.356 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.524 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -83.43 25.04 5.21 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 123.496 0.497 . . . . 0.0 112.12 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.44 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.1 m-85 -92.9 -101.3 0.13 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.648 0.779 . . . . 0.0 110.676 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' O ' ' HD1' ' A' ' 12' ' ' PHE . . . -178.17 85.31 0.07 OUTLIER Glycine 0 C--N 1.342 0.916 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.659 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' ASP . 62.5 mt 75.16 -63.98 0.39 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.457 1.103 . . . . 0.0 111.774 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HD1' ' O ' ' A' ' 10' ' ' GLY . 1.8 m-85 31.42 -80.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.82 1.248 . . . . 0.0 113.999 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' OXT' ' HB3' ' A' ' 6' ' ' ASP . 37.9 t70 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.218 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -75.92 -1.22 24.45 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 11' ' ' LEU . 52.6 m-20 -129.1 -69.03 0.72 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.207 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -146.19 -48.27 0.2 Allowed 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.991 0.807 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.417 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -135.3 -167.8 2.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.74 11.5 5.75 Favored Glycine 0 C--N 1.348 1.203 0 O-C-N 123.261 0.351 . . . . 0.0 112.301 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -87.97 -169.05 2.42 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.022 0.929 . . . . 0.0 110.414 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.66 90.57 0.48 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.47 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' OD2' ' A' ' 5' ' ' ASP . 5.5 mp 59.53 31.06 20.74 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.035 0.934 . . . . 0.0 112.72 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 2.2 m-85 . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.567 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -79.92 2.66 22.57 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -129.82 -64.27 0.88 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.262 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.435 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.3 p-10 -144.04 -56.87 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.838 0.711 . . . . 0.0 110.612 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt -136.89 -173.82 3.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.76 27.54 3.36 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.635 0.585 . . . . 0.0 112.574 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.42 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -90.05 -92.35 0.13 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.81 83.89 0.06 OUTLIER Glycine 0 C--N 1.339 0.704 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.836 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.22 45.52 23.02 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.107 0.963 . . . . 0.0 112.695 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.435 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.314 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.98 3.38 23.16 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.438 ' OD2' ' HG ' ' A' ' 11' ' ' LEU . 51.5 m-20 -129.56 -64.57 0.88 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.388 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.442 ' OD1' ' HG2' ' A' ' 7' ' ' MET . 9.8 t70 -146.4 -53.88 0.25 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.918 0.761 . . . . 0.0 109.732 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.442 ' HG2' ' OD1' ' A' ' 6' ' ' ASP . 26.5 mmt -134.73 179.9 6.01 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.188 0.93 . . . . 0.0 111.191 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.05 26.48 4.88 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.358 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.95 -81.36 0.29 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.411 0.685 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.62 84.93 0.06 OUTLIER Glycine 0 C--N 1.336 0.555 0 O-C-N 123.49 0.494 . . . . 0.0 112.88 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' OD2' ' A' ' 5' ' ' ASP . 5.1 mp 56.04 45.83 22.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.254 1.022 . . . . 0.0 112.745 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.469 0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.225 179.283 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -74.53 -4.14 35.11 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 55.1 m-20 -126.02 -62.12 1.19 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.991 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -153.24 -50.8 0.1 Allowed 'General case' 0 C--N 1.347 0.478 0 O-C-N 124.101 0.875 . . . . 0.0 109.136 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.408 ' HB2' ' CD1' ' A' ' 9' ' ' PHE . 26.5 mmt -135.1 -14.26 2.05 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.378 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 9.97 19.5 Favored Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.176 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 7' ' ' MET . 1.4 m-85 -83.46 -78.74 0.21 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.589 0.756 . . . . 0.0 111.29 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.94 77.3 0.06 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.549 0.531 . . . . 0.0 112.772 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 5.3 mp 53.15 58.13 5.6 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.987 0.915 . . . . 0.0 112.688 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--O 1.236 0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.218 179.745 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -79.62 2.33 22.84 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -129.75 -64.01 0.9 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.283 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 p-10 -143.95 -57.42 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.952 0.783 . . . . 0.0 110.585 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -136.91 -173.51 3.47 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.49 26.6 3.48 Favored Glycine 0 C--N 1.345 1.072 0 O-C-N 123.62 0.575 . . . . 0.0 112.622 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.54 -92.45 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.39 0.676 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.49 83.79 0.06 OUTLIER Glycine 0 C--N 1.339 0.697 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.986 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 56.22 45.51 23.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.997 0.919 . . . . 0.0 112.768 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.469 0.5 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.308 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.9 0.97 22.06 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -129.11 -63.41 0.95 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.047 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.507 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 p-10 -144.31 -58.21 0.37 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.028 0.83 . . . . 0.0 110.515 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.99 -169.51 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.701 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.55 27.33 3.32 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 123.518 0.511 . . . . 0.0 112.589 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.4 -97.69 0.1 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.465 0.706 . . . . 0.0 110.988 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.25 85.22 0.06 OUTLIER Glycine 0 C--N 1.341 0.849 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.892 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 55.92 48.42 18.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.216 1.006 . . . . 0.0 112.922 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.507 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 C--O 1.239 0.546 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.34 1.3 22.35 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.21 -62.92 0.97 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.135 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.52 -58.49 0.37 Allowed 'General case' 0 C--N 1.346 0.446 0 O-C-N 123.957 0.786 . . . . 0.0 110.502 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.7 mmm -138.08 -170.37 2.78 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.259 0.975 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.14 25.21 4.31 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.648 0.592 . . . . 0.0 112.462 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.2 m-85 -90.37 -93.23 0.13 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.604 0.762 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.2 84.16 0.06 OUTLIER Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.775 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 56.25 45.04 23.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 112.735 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.469 0.496 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.352 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -78.66 1.57 22.4 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -129.21 -63.84 0.93 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.193 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.51 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 p-10 -143.96 -57.79 0.39 Allowed 'General case' 0 C--O 1.237 0.423 0 O-C-N 124.014 0.821 . . . . 0.0 110.564 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.36 -171.6 3.01 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 124.317 1.011 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.07 27.26 3.12 Favored Glycine 0 C--N 1.345 1.073 0 O-C-N 123.661 0.601 . . . . 0.0 112.68 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.411 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.32 -96.83 0.1 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.62 84.82 0.06 OUTLIER Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.998 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.98 51.91 12.74 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.246 1.018 . . . . 0.0 112.977 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.51 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.7 m-85 . . . . . 0 C--O 1.239 0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.116 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -77.4 0.02 24.09 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -130.15 -70.72 0.62 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -146.81 -44.69 0.18 Allowed 'General case' 0 C--N 1.347 0.466 0 O-C-N 123.873 0.733 . . . . 0.0 110.393 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.434 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -134.76 -170.08 2.48 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.363 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.89 15.92 2.86 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.472 0.482 . . . . 0.0 112.55 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -90.98 -159.56 0.64 Allowed 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.966 0.906 . . . . 0.0 110.087 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -134.69 91.95 0.24 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.005 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.9 mt 74.92 -18.97 0.41 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.522 1.129 . . . . 0.0 111.09 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.9 m-85 . . . . . 0 N--CA 1.474 0.744 0 O-C-N 124.089 0.868 . . . . 0.0 111.74 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.17 -3.22 28.43 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.518 ' OD2' HD12 ' A' ' 11' ' ' LEU . 54.1 m-20 -126.31 -64.17 1.05 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.814 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -148.91 -53.71 0.18 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 124.07 0.856 . . . . 0.0 110.083 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.448 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.6 mmm -138.02 -157.74 0.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.088 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.5 22.98 2.02 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 112.203 -0.359 . . . . 0.0 112.203 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -91.92 -159.12 0.62 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.882 0.873 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.95 88.57 0.18 Allowed Glycine 0 C--N 1.338 0.641 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.75 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.518 HD12 ' OD2' ' A' ' 5' ' ' ASP . 5.4 mp 57.43 43.81 22.47 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.079 0.952 . . . . 0.0 113.241 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.469 0.524 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.308 179.028 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -77.92 -0.15 26.45 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -128.49 -64.27 0.95 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.796 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -145.22 -61.84 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 O-C-N 124.024 0.828 . . . . 0.0 110.29 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -124.43 179.85 4.76 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.175 0.922 . . . . 0.0 111.425 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.58 32.13 3.18 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.796 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.0 -87.78 0.25 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.354 0.661 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.53 86.02 0.06 OUTLIER Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.158 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 55.1 49.76 16.76 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.065 0.946 . . . . 0.0 112.972 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--O 1.24 0.564 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.123 179.266 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -78.65 -0.16 28.89 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.85 -73.85 0.36 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.917 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -156.01 96.59 1.73 Allowed 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' PHE . 26.5 mmt 63.87 -170.08 0.19 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.77 0.828 . . . . 0.0 111.035 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.75 12.92 3.35 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 123.38 0.425 . . . . 0.0 112.558 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -86.2 -161.92 0.69 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.921 0.888 . . . . 0.0 110.406 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.39 89.81 0.28 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.55 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 57.37 41.8 25.84 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.225 1.01 . . . . 0.0 113.062 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 1.9 m-85 . . . . . 0 N--CA 1.469 0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.395 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 5' ' ' ASP . 75.0 p . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.763 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 10.0 p-10 44.28 13.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.772 1.229 . . . . 0.0 112.379 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 3' ' ' SER . 9.8 t70 -100.75 -77.24 0.54 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -136.9 -6.44 1.88 Allowed 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.572 0.545 . . . . 0.0 111.62 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.1 mtp -83.19 170.97 14.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.68 0.613 . . . . 0.0 110.921 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.54 20.07 6.53 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.509 0.506 . . . . 0.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.435 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.97 177.38 6.09 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.829 0.851 . . . . 0.0 110.889 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.76 92.3 0.15 Allowed Glycine 0 C--N 1.336 0.563 0 O-C-N 123.594 0.559 . . . . 0.0 112.687 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.763 ' H ' ' HB3' ' A' ' 4' ' ' ASP . 5.3 mp 56.27 46.55 20.97 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.217 1.007 . . . . 0.0 113.249 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.468 0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.419 179.008 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 121.366 0.603 . . . . 0.0 109.414 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.58 -66.87 0.75 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.666 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 7' ' ' MET . 8.7 p-10 -147.97 -59.6 0.25 Allowed 'General case' 0 C--O 1.237 0.44 0 O-C-N 124.066 0.854 . . . . 0.0 109.937 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.438 ' HG3' ' OD2' ' A' ' 6' ' ' ASP . 59.8 mtm -118.16 -170.51 1.9 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.29 0.994 . . . . 0.0 110.703 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.93 17.39 2.86 Favored Glycine 0 C--N 1.348 1.247 0 O-C-N 123.55 0.531 . . . . 0.0 112.727 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.52 -159.21 0.65 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.798 0.839 . . . . 0.0 110.063 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -133.7 93.69 0.26 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.2 mt 74.82 -19.08 0.4 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.59 1.156 . . . . 0.0 111.094 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.8 m-85 . . . . . 0 N--CA 1.473 0.686 0 O-C-N 124.074 0.859 . . . . 0.0 111.746 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 p . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.4 1.57 21.64 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -129.36 -63.4 0.94 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.62 -57.87 0.36 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.905 0.753 . . . . 0.0 110.468 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.82 -170.67 2.82 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.268 0.98 . . . . 0.0 110.804 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.52 26.79 3.91 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 123.58 0.55 . . . . 0.0 112.516 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.3 m-85 -89.89 -93.27 0.12 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.489 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.72 84.15 0.06 OUTLIER Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.874 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.81 43.11 25.6 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.053 0.941 . . . . 0.0 112.699 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.458 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.469 0.504 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.393 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.51 3.08 22.76 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -129.32 -65.06 0.87 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.397 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -147.09 -55.88 0.24 Allowed 'General case' 0 C--N 1.346 0.443 0 O-C-N 123.891 0.744 . . . . 0.0 109.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.449 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 7.6 mmt -127.62 175.78 8.01 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.301 1.0 . . . . 0.0 111.246 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.57 26.72 5.63 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.095 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -89.6 -75.43 0.45 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.529 0.732 . . . . 0.0 111.245 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.97 85.0 0.06 OUTLIER Glycine 0 C--N 1.335 0.498 0 O-C-N 123.54 0.525 . . . . 0.0 112.918 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 57.15 40.98 27.82 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.095 0.958 . . . . 0.0 112.536 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.468 0.463 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.339 179.289 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -78.94 1.66 22.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.32 -64.32 0.9 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.307 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.451 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 p-10 -143.67 -57.96 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.946 0.779 . . . . 0.0 110.664 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.508 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 6.2 mmt -135.28 -173.59 3.38 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 124.307 1.004 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.49 27.8 3.2 Favored Glycine 0 C--N 1.345 1.078 0 O-C-N 123.643 0.589 . . . . 0.0 112.624 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.418 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.6 m-85 -89.21 -94.71 0.1 Allowed 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.449 0.699 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.76 84.67 0.06 OUTLIER Glycine 0 C--N 1.339 0.748 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.89 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.15 47.73 18.9 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.09 0.956 . . . . 0.0 112.875 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.451 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 C--O 1.24 0.589 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.13 2.67 23.19 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -138.0 -71.27 0.43 Allowed 'General case' 0 C--N 1.346 0.435 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.177 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.638 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.7 t70 -156.4 86.66 1.01 Allowed 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 63.99 -171.4 0.18 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.892 0.877 . . . . 0.0 111.554 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.53 21.93 5.01 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 123.526 0.516 . . . . 0.0 112.328 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.45 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.1 m-85 -88.36 -102.78 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.674 0.789 . . . . 0.0 110.776 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.04 82.43 0.06 OUTLIER Glycine 0 C--N 1.343 0.928 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.782 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.2 mp 52.99 57.46 6.32 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.103 0.961 . . . . 0.0 112.822 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.638 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.5 m-85 . . . . . 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.298 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.41 3.19 22.11 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -138.46 -72.86 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.21 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.619 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.8 t70 -154.98 84.88 1.08 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 64.25 -166.66 0.22 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.797 0.839 . . . . 0.0 111.245 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.35 23.22 4.82 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.328 0.392 . . . . 0.0 112.239 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.465 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.2 m-85 -88.23 -107.69 0.07 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.539 0.736 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.98 85.07 0.06 OUTLIER Glycine 0 C--N 1.344 0.981 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.968 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 53.33 57.72 5.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.13 0.972 . . . . 0.0 113.085 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.619 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.6 m-85 . . . . . 0 C--O 1.238 0.482 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.122 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.38 -0.52 23.01 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -128.0 -62.62 1.05 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.97 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -146.47 -57.28 0.28 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 124.064 0.852 . . . . 0.0 110.291 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.4 mmm -138.27 -168.42 2.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.356 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.43 25.04 5.21 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 123.496 0.497 . . . . 0.0 112.12 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.1 m-85 -92.9 -101.3 0.13 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.648 0.779 . . . . 0.0 110.676 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' O ' ' HD1' ' A' ' 12' ' ' PHE . . . -178.17 85.31 0.07 OUTLIER Glycine 0 C--N 1.342 0.916 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.659 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt 75.16 -63.98 0.39 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.457 1.103 . . . . 0.0 111.774 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 9' ' ' PHE . 1.8 m-85 . . . . . 0 N--CA 1.489 1.513 0 C-N-CA 124.82 1.248 . . . . 0.0 113.999 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.719 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 50.1 mt-10 -126.01 -68.13 0.84 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.931 0.769 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p 55.53 10.82 0.53 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.228 1.011 . . . . 0.0 113.265 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.64 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.3 p-10 -75.92 -1.22 24.45 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 11' ' ' LEU . 52.6 m-20 -129.1 -69.03 0.72 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.207 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -146.19 -48.27 0.2 Allowed 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.991 0.807 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.417 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -135.3 -167.8 2.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.719 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -73.74 11.5 5.75 Favored Glycine 0 C--N 1.348 1.203 0 O-C-N 123.261 0.351 . . . . 0.0 112.301 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -87.97 -169.05 2.42 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.022 0.929 . . . . 0.0 110.414 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.66 90.57 0.48 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.47 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' OD2' ' A' ' 5' ' ' ASP . 5.5 mp 59.53 31.06 20.74 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.035 0.934 . . . . 0.0 112.72 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 2.2 m-85 -81.1 167.09 20.1 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.567 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.206 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.473 ' N ' ' HA3' ' A' ' 8' ' ' GLY . 37.7 tt0 . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.708 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -95.8 -70.05 0.73 Allowed 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.88 0.737 . . . . 0.0 111.455 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 p 53.47 8.44 0.13 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.999 0.919 . . . . 0.0 113.473 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.607 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.6 p-10 -79.92 2.66 22.57 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -129.82 -64.27 0.88 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.262 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.3 p-10 -144.04 -56.87 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.838 0.711 . . . . 0.0 110.612 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt -136.89 -173.82 3.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.708 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.76 27.54 3.36 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.635 0.585 . . . . 0.0 112.574 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.42 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -90.05 -92.35 0.13 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.81 83.89 0.06 OUTLIER Glycine 0 C--N 1.339 0.704 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.836 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.22 45.52 23.02 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.107 0.963 . . . . 0.0 112.695 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.435 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -88.8 171.48 9.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.314 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.087 -179.844 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.503 ' N ' ' HA3' ' A' ' 8' ' ' GLY . 37.8 tt0 . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.625 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.5 mp0 -94.27 -71.12 0.68 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.922 0.764 . . . . 0.0 111.51 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 p 53.05 8.31 0.1 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.584 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.2 p-10 -80.98 3.38 23.16 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.438 ' OD2' ' HG ' ' A' ' 11' ' ' LEU . 51.5 m-20 -129.56 -64.57 0.88 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.388 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.442 ' OD1' ' HG2' ' A' ' 7' ' ' MET . 9.8 t70 -146.4 -53.88 0.25 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.918 0.761 . . . . 0.0 109.732 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.442 ' HG2' ' OD1' ' A' ' 6' ' ' ASP . 26.5 mmt -134.73 179.9 6.01 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.188 0.93 . . . . 0.0 111.191 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.625 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -84.05 26.48 4.88 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.358 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.95 -81.36 0.29 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.411 0.685 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.62 84.93 0.06 OUTLIER Glycine 0 C--N 1.336 0.555 0 O-C-N 123.49 0.494 . . . . 0.0 112.88 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' OD2' ' A' ' 5' ' ' ASP . 5.1 mp 56.04 45.83 22.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.254 1.022 . . . . 0.0 112.745 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -89.52 172.04 9.27 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.225 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.141 -179.827 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -98.91 -45.94 5.8 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.928 0.767 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p 57.51 17.2 3.74 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.338 1.055 . . . . 0.0 112.874 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -74.53 -4.14 35.11 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 55.1 m-20 -126.02 -62.12 1.19 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.991 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -153.24 -50.8 0.1 Allowed 'General case' 0 C--N 1.347 0.478 0 O-C-N 124.101 0.875 . . . . 0.0 109.136 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.408 ' HB2' ' CD1' ' A' ' 9' ' ' PHE . 26.5 mmt -135.1 -14.26 2.05 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.378 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 9.97 19.5 Favored Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.176 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 7' ' ' MET . 1.4 m-85 -83.46 -78.74 0.21 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.589 0.756 . . . . 0.0 111.29 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.94 77.3 0.06 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.549 0.531 . . . . 0.0 112.772 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 5.3 mp 53.15 58.13 5.6 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.987 0.915 . . . . 0.0 112.688 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -95.46 172.21 8.22 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.218 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.216 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.73 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -95.18 -68.74 0.79 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.93 0.769 . . . . 0.0 111.418 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p 53.31 8.69 0.12 Allowed 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.617 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.9 p-10 -79.62 2.33 22.84 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -129.75 -64.01 0.9 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.283 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 p-10 -143.95 -57.42 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.952 0.783 . . . . 0.0 110.585 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -136.91 -173.51 3.47 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.73 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.49 26.6 3.48 Favored Glycine 0 C--N 1.345 1.072 0 O-C-N 123.62 0.575 . . . . 0.0 112.622 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.54 -92.45 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.39 0.676 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.49 83.79 0.06 OUTLIER Glycine 0 C--N 1.339 0.697 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.986 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 56.22 45.51 23.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.997 0.919 . . . . 0.0 112.768 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -88.79 171.09 10.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.308 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.15 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.74 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -117.34 -68.0 0.95 Allowed 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.962 0.789 . . . . 0.0 111.242 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p 54.0 9.7 0.23 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.087 0.955 . . . . 0.0 113.362 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.646 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.3 p-10 -77.9 0.97 22.06 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -129.11 -63.41 0.95 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.047 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.713 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.9 p-10 -144.31 -58.21 0.37 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.028 0.83 . . . . 0.0 110.515 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.99 -169.51 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.701 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.74 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.55 27.33 3.32 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 123.518 0.511 . . . . 0.0 112.589 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.4 -97.69 0.1 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.465 0.706 . . . . 0.0 110.988 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.25 85.22 0.06 OUTLIER Glycine 0 C--N 1.341 0.849 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.892 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 55.92 48.42 18.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.216 1.006 . . . . 0.0 112.922 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.507 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -90.77 6.56 43.69 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.713 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.8 t70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.302 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.748 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -117.65 -68.31 0.93 Allowed 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.906 0.754 . . . . 0.0 111.277 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p 53.81 9.36 0.19 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.063 0.945 . . . . 0.0 113.402 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.646 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.2 p-10 -78.34 1.3 22.35 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.21 -62.92 0.97 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.135 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.52 -58.49 0.37 Allowed 'General case' 0 C--N 1.346 0.446 0 O-C-N 123.957 0.786 . . . . 0.0 110.502 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.7 mmm -138.08 -170.37 2.78 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.259 0.975 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.748 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -82.14 25.21 4.31 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.648 0.592 . . . . 0.0 112.462 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.2 m-85 -90.37 -93.23 0.13 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.604 0.762 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.2 84.16 0.06 OUTLIER Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.775 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 56.25 45.04 23.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 112.735 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -88.91 169.71 11.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.352 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.208 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.416 ' HG3' ' HA3' ' A' ' 8' ' ' GLY . 37.9 tt0 . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.752 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -95.92 -68.0 0.82 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.909 0.755 . . . . 0.0 111.312 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p 53.76 8.97 0.17 Allowed 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.647 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.1 p-10 -78.66 1.57 22.4 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -129.21 -63.84 0.93 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.193 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.9 p-10 -143.96 -57.79 0.39 Allowed 'General case' 0 C--O 1.237 0.423 0 O-C-N 124.014 0.821 . . . . 0.0 110.564 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.36 -171.6 3.01 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 124.317 1.011 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.752 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.07 27.26 3.12 Favored Glycine 0 C--N 1.345 1.073 0 O-C-N 123.661 0.601 . . . . 0.0 112.68 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.411 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.32 -96.83 0.1 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.62 84.82 0.06 OUTLIER Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.998 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.98 51.91 12.74 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.246 1.018 . . . . 0.0 112.977 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.7 m-85 -93.12 5.82 50.14 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.116 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.718 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 38.0 t70 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.304 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.75 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 53.0 mm-40 -126.92 -71.06 0.69 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.964 0.79 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p 55.05 9.25 0.3 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.207 1.003 . . . . 0.0 113.279 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.617 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.6 p-10 -77.4 0.02 24.09 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -130.15 -70.72 0.62 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' OD2' ' HA ' ' A' ' 13' ' ' ASP . 8.9 p-10 -146.81 -44.69 0.18 Allowed 'General case' 0 C--N 1.347 0.466 0 O-C-N 123.873 0.733 . . . . 0.0 110.393 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.434 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -134.76 -170.08 2.48 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.363 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.75 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -73.89 15.92 2.86 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.472 0.482 . . . . 0.0 112.55 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -90.98 -159.56 0.64 Allowed 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.966 0.906 . . . . 0.0 110.087 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -134.69 91.95 0.24 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.005 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.9 mt 74.92 -18.97 0.41 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.522 1.129 . . . . 0.0 111.09 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.9 m-85 -68.91 127.77 34.29 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.089 0.868 . . . . 0.0 111.74 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.435 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 38.0 t70 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.212 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.621 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 9.4 mp0 -106.87 -72.11 0.73 Allowed 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.973 0.795 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p 54.77 12.15 0.55 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.967 0.907 . . . . 0.0 112.936 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.621 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.6 p-10 -74.17 -3.22 28.43 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.518 ' OD2' HD12 ' A' ' 11' ' ' LEU . 54.1 m-20 -126.31 -64.17 1.05 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.814 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -148.91 -53.71 0.18 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 124.07 0.856 . . . . 0.0 110.083 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.448 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.6 mmm -138.02 -157.74 0.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.088 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.5 22.98 2.02 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 112.203 -0.359 . . . . 0.0 112.203 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -91.92 -159.12 0.62 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.882 0.873 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.95 88.57 0.18 Allowed Glycine 0 C--N 1.338 0.641 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.75 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.518 HD12 ' OD2' ' A' ' 5' ' ' ASP . 5.4 mp 57.43 43.81 22.47 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.079 0.952 . . . . 0.0 113.241 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -89.5 -10.79 44.96 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.308 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.158 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.674 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -116.45 -75.56 0.58 Allowed 'General case' 0 C--O 1.236 0.357 0 O-C-N 124.002 0.813 . . . . 0.0 111.598 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p 52.59 9.31 0.11 Allowed 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.0 p-10 -77.92 -0.15 26.45 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -128.49 -64.27 0.95 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.796 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.6 p-10 -145.22 -61.84 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 O-C-N 124.024 0.828 . . . . 0.0 110.29 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -124.43 179.85 4.76 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.175 0.922 . . . . 0.0 111.425 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.674 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -83.58 32.13 3.18 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.796 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.0 -87.78 0.25 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.354 0.661 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.53 86.02 0.06 OUTLIER Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.158 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 55.1 49.76 16.76 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.065 0.946 . . . . 0.0 112.972 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -91.65 8.62 35.96 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.123 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.8 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.284 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.303 0.097 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.787 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 5.7 mm-40 -127.19 -73.16 0.62 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.923 0.764 . . . . 0.0 110.731 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p 56.47 1.81 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.579 1.152 . . . . 0.0 113.545 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 9.0 p-10 -78.65 -0.16 28.89 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.85 -73.85 0.36 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.917 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -156.01 96.59 1.73 Allowed 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' PHE . 26.5 mmt 63.87 -170.08 0.19 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.77 0.828 . . . . 0.0 111.035 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.787 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -72.75 12.92 3.35 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 123.38 0.425 . . . . 0.0 112.558 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -86.2 -161.92 0.69 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.921 0.888 . . . . 0.0 110.406 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.39 89.81 0.28 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.55 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 57.37 41.8 25.84 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.225 1.01 . . . . 0.0 113.062 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 1.9 m-85 -87.85 167.91 13.37 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.395 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.174 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.487 ' HB3' ' OE2' ' A' ' 2' ' ' GLU . 37.8 tt0 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 1' ' ' GLU . 8.4 mp0 -112.73 -41.76 3.74 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 123.93 0.768 . . . . 0.0 110.811 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 5' ' ' ASP . 75.0 p 55.36 167.47 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.519 1.127 . . . . 0.0 112.826 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.763 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 10.0 p-10 44.28 13.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.772 1.229 . . . . 0.0 112.379 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 3' ' ' SER . 9.8 t70 -100.75 -77.24 0.54 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -136.9 -6.44 1.88 Allowed 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.572 0.545 . . . . 0.0 111.62 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.1 mtp -83.19 170.97 14.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.68 0.613 . . . . 0.0 110.921 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.54 20.07 6.53 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.509 0.506 . . . . 0.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.435 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.97 177.38 6.09 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.829 0.851 . . . . 0.0 110.889 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.76 92.3 0.15 Allowed Glycine 0 C--N 1.336 0.563 0 O-C-N 123.594 0.559 . . . . 0.0 112.687 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.763 ' H ' ' HB3' ' A' ' 4' ' ' ASP . 5.3 mp 56.27 46.55 20.97 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.217 1.007 . . . . 0.0 113.249 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -90.49 168.97 11.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.419 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.161 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.753 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 53.4 mm-40 -130.12 -70.35 0.63 Allowed 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.897 0.748 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p 54.56 10.05 0.31 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.986 0.915 . . . . 0.0 113.227 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.637 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.8 p-10 -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 121.366 0.603 . . . . 0.0 109.414 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.58 -66.87 0.75 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.666 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 13' ' ' ASP . 8.7 p-10 -147.97 -59.6 0.25 Allowed 'General case' 0 C--O 1.237 0.44 0 O-C-N 124.066 0.854 . . . . 0.0 109.937 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.438 ' HG3' ' OD2' ' A' ' 6' ' ' ASP . 59.8 mtm -118.16 -170.51 1.9 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.29 0.994 . . . . 0.0 110.703 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.753 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -74.93 17.39 2.86 Favored Glycine 0 C--N 1.348 1.247 0 O-C-N 123.55 0.531 . . . . 0.0 112.727 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.419 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.52 -159.21 0.65 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.798 0.839 . . . . 0.0 110.063 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -133.7 93.69 0.26 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.2 mt 74.82 -19.08 0.4 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.59 1.156 . . . . 0.0 111.094 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.8 m-85 -69.68 127.9 34.57 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 124.074 0.859 . . . . 0.0 111.746 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.47 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 38.0 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.197 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.739 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -117.57 -68.64 0.9 Allowed 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.947 0.78 . . . . 0.0 111.184 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 p 53.81 9.51 0.2 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.09 0.956 . . . . 0.0 113.391 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.648 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.2 p-10 -78.4 1.57 21.64 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -129.36 -63.4 0.94 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.62 -57.87 0.36 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.905 0.753 . . . . 0.0 110.468 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.82 -170.67 2.82 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.268 0.98 . . . . 0.0 110.804 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.739 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -82.52 26.79 3.91 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 123.58 0.55 . . . . 0.0 112.516 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.3 m-85 -89.89 -93.27 0.12 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.489 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.72 84.15 0.06 OUTLIER Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.874 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.81 43.11 25.6 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.053 0.941 . . . . 0.0 112.699 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -87.45 171.32 10.64 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.393 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 124.416 1.086 . . . . 0.0 111.344 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.465 ' HG3' ' HA3' ' A' ' 8' ' ' GLY . 37.9 tt0 . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.58 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 8.7 mp0 -93.69 -72.27 0.62 Allowed 'General case' 0 C--O 1.236 0.395 0 O-C-N 123.902 0.751 . . . . 0.0 111.525 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p 53.32 8.71 0.13 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.58 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.2 p-10 -80.51 3.08 22.76 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -129.32 -65.06 0.87 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.397 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -147.09 -55.88 0.24 Allowed 'General case' 0 C--N 1.346 0.443 0 O-C-N 123.891 0.744 . . . . 0.0 109.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.449 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 7.6 mmt -127.62 175.78 8.01 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.301 1.0 . . . . 0.0 111.246 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.553 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -85.57 26.72 5.63 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.095 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -89.6 -75.43 0.45 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.529 0.732 . . . . 0.0 111.245 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.97 85.0 0.06 OUTLIER Glycine 0 C--N 1.335 0.498 0 O-C-N 123.54 0.525 . . . . 0.0 112.918 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 57.15 40.98 27.82 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.095 0.958 . . . . 0.0 112.536 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -86.19 171.99 10.87 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.339 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.213 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.47 ' N ' ' HA3' ' A' ' 8' ' ' GLY . 37.6 tt0 . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.698 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.5 mp0 -95.87 -70.1 0.73 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 123.877 0.736 . . . . 0.0 111.417 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p 53.74 8.87 0.16 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.062 0.945 . . . . 0.0 113.358 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.627 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.8 p-10 -78.94 1.66 22.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.32 -64.32 0.9 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.307 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.6 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.9 p-10 -143.67 -57.96 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.946 0.779 . . . . 0.0 110.664 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.508 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 6.2 mmt -135.28 -173.59 3.38 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 124.307 1.004 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.698 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.49 27.8 3.2 Favored Glycine 0 C--N 1.345 1.078 0 O-C-N 123.643 0.589 . . . . 0.0 112.624 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.418 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.6 m-85 -89.21 -94.71 0.1 Allowed 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.449 0.699 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.76 84.67 0.06 OUTLIER Glycine 0 C--N 1.339 0.748 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.89 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.15 47.73 18.9 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.09 0.956 . . . . 0.0 112.875 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -90.25 8.72 31.77 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.046 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.9 t70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.297 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.791 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -98.07 -65.78 0.94 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.93 0.769 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p 55.43 1.69 0.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.458 1.103 . . . . 0.0 113.847 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.578 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 9.7 p-10 -80.13 2.67 23.19 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -138.0 -71.27 0.43 Allowed 'General case' 0 C--N 1.346 0.435 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.177 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.638 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.7 t70 -156.4 86.66 1.01 Allowed 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 63.99 -171.4 0.18 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.892 0.877 . . . . 0.0 111.554 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.791 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -80.53 21.93 5.01 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 123.526 0.516 . . . . 0.0 112.328 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.1 m-85 -88.36 -102.78 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.674 0.789 . . . . 0.0 110.776 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.04 82.43 0.06 OUTLIER Glycine 0 C--N 1.343 0.928 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.782 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.2 mp 52.99 57.46 6.32 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.103 0.961 . . . . 0.0 112.822 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.638 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.5 m-85 -95.28 172.39 8.13 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.298 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.171 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.488 ' H3 ' ' HA3' ' A' ' 8' ' ' GLY . 37.9 tt0 . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.615 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.5 mp0 -98.48 -67.44 0.85 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.929 0.768 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p 55.61 2.81 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.43 1.092 . . . . 0.0 113.791 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.566 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 9.7 p-10 -80.41 3.19 22.11 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -138.46 -72.86 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.21 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.619 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.8 t70 -154.98 84.88 1.08 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 64.25 -166.66 0.22 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.797 0.839 . . . . 0.0 111.245 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.615 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.35 23.22 4.82 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.328 0.392 . . . . 0.0 112.239 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.465 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.2 m-85 -88.23 -107.69 0.07 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.539 0.736 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.98 85.07 0.06 OUTLIER Glycine 0 C--N 1.344 0.981 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.968 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 53.33 57.72 5.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.13 0.972 . . . . 0.0 113.085 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.619 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.6 m-85 -96.33 3.07 53.21 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.122 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.557 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 37.8 t70 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.265 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.66 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 8.6 mp0 -114.34 -68.05 0.95 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.951 0.782 . . . . 0.0 111.211 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p 54.45 11.56 0.43 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.979 0.912 . . . . 0.0 113.13 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.66 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.4 p-10 -76.38 -0.52 23.01 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -128.0 -62.62 1.05 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.97 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.454 ' HB3' ' OXT' ' A' ' 13' ' ' ASP . 9.8 p-10 -146.47 -57.28 0.28 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 124.064 0.852 . . . . 0.0 110.291 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.4 mmm -138.27 -168.42 2.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.356 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -83.43 25.04 5.21 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 123.496 0.497 . . . . 0.0 112.12 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.1 m-85 -92.9 -101.3 0.13 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.648 0.779 . . . . 0.0 110.676 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' O ' ' HD1' ' A' ' 12' ' ' PHE . . . -178.17 85.31 0.07 OUTLIER Glycine 0 C--N 1.342 0.916 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.659 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' ASP . 62.5 mt 75.16 -63.98 0.39 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.457 1.103 . . . . 0.0 111.774 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 9' ' ' PHE . 1.8 m-85 31.42 -80.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.82 1.248 . . . . 0.0 113.999 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' OXT' ' HB3' ' A' ' 6' ' ' ASP . 37.9 t70 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.218 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -75.92 -1.22 24.45 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 11' ' ' LEU . 52.6 m-20 -129.1 -69.03 0.72 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.207 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -146.19 -48.27 0.2 Allowed 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.991 0.807 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.417 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -135.3 -167.8 2.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.74 11.5 5.75 Favored Glycine 0 C--N 1.348 1.203 0 O-C-N 123.261 0.351 . . . . 0.0 112.301 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -87.97 -169.05 2.42 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.022 0.929 . . . . 0.0 110.414 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.66 90.57 0.48 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.47 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' OD2' ' A' ' 5' ' ' ASP . 5.5 mp 59.53 31.06 20.74 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.035 0.934 . . . . 0.0 112.72 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 2.2 m-85 . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.567 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -79.92 2.66 22.57 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -129.82 -64.27 0.88 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.262 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.435 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.3 p-10 -144.04 -56.87 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.838 0.711 . . . . 0.0 110.612 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt -136.89 -173.82 3.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.76 27.54 3.36 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.635 0.585 . . . . 0.0 112.574 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.42 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -90.05 -92.35 0.13 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.81 83.89 0.06 OUTLIER Glycine 0 C--N 1.339 0.704 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.836 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.22 45.52 23.02 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.107 0.963 . . . . 0.0 112.695 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.435 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.314 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.98 3.38 23.16 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.438 ' OD2' ' HG ' ' A' ' 11' ' ' LEU . 51.5 m-20 -129.56 -64.57 0.88 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.388 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.442 ' OD1' ' HG2' ' A' ' 7' ' ' MET . 9.8 t70 -146.4 -53.88 0.25 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.918 0.761 . . . . 0.0 109.732 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.442 ' HG2' ' OD1' ' A' ' 6' ' ' ASP . 26.5 mmt -134.73 179.9 6.01 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.188 0.93 . . . . 0.0 111.191 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.05 26.48 4.88 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.358 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.95 -81.36 0.29 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.411 0.685 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.62 84.93 0.06 OUTLIER Glycine 0 C--N 1.336 0.555 0 O-C-N 123.49 0.494 . . . . 0.0 112.88 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' OD2' ' A' ' 5' ' ' ASP . 5.1 mp 56.04 45.83 22.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.254 1.022 . . . . 0.0 112.745 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.469 0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.225 179.283 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -74.53 -4.14 35.11 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 55.1 m-20 -126.02 -62.12 1.19 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.991 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -153.24 -50.8 0.1 Allowed 'General case' 0 C--N 1.347 0.478 0 O-C-N 124.101 0.875 . . . . 0.0 109.136 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.408 ' HB2' ' CD1' ' A' ' 9' ' ' PHE . 26.5 mmt -135.1 -14.26 2.05 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.378 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 9.97 19.5 Favored Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.176 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 7' ' ' MET . 1.4 m-85 -83.46 -78.74 0.21 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.589 0.756 . . . . 0.0 111.29 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.94 77.3 0.06 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.549 0.531 . . . . 0.0 112.772 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 5.3 mp 53.15 58.13 5.6 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.987 0.915 . . . . 0.0 112.688 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--O 1.236 0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.218 179.745 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -79.62 2.33 22.84 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -129.75 -64.01 0.9 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.283 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 p-10 -143.95 -57.42 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.952 0.783 . . . . 0.0 110.585 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -136.91 -173.51 3.47 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.49 26.6 3.48 Favored Glycine 0 C--N 1.345 1.072 0 O-C-N 123.62 0.575 . . . . 0.0 112.622 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.54 -92.45 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.39 0.676 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.49 83.79 0.06 OUTLIER Glycine 0 C--N 1.339 0.697 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.986 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 56.22 45.51 23.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.997 0.919 . . . . 0.0 112.768 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.469 0.5 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.308 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.9 0.97 22.06 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -129.11 -63.41 0.95 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.047 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.507 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 p-10 -144.31 -58.21 0.37 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.028 0.83 . . . . 0.0 110.515 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.99 -169.51 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.701 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.55 27.33 3.32 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 123.518 0.511 . . . . 0.0 112.589 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.4 -97.69 0.1 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.465 0.706 . . . . 0.0 110.988 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.25 85.22 0.06 OUTLIER Glycine 0 C--N 1.341 0.849 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.892 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 55.92 48.42 18.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.216 1.006 . . . . 0.0 112.922 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.507 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 C--O 1.239 0.546 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.34 1.3 22.35 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.21 -62.92 0.97 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.135 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.52 -58.49 0.37 Allowed 'General case' 0 C--N 1.346 0.446 0 O-C-N 123.957 0.786 . . . . 0.0 110.502 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.7 mmm -138.08 -170.37 2.78 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.259 0.975 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.14 25.21 4.31 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.648 0.592 . . . . 0.0 112.462 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.2 m-85 -90.37 -93.23 0.13 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.604 0.762 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.2 84.16 0.06 OUTLIER Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.775 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 56.25 45.04 23.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 112.735 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.469 0.496 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.352 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -78.66 1.57 22.4 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -129.21 -63.84 0.93 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.193 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.51 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 p-10 -143.96 -57.79 0.39 Allowed 'General case' 0 C--O 1.237 0.423 0 O-C-N 124.014 0.821 . . . . 0.0 110.564 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.36 -171.6 3.01 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 124.317 1.011 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.07 27.26 3.12 Favored Glycine 0 C--N 1.345 1.073 0 O-C-N 123.661 0.601 . . . . 0.0 112.68 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.411 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.32 -96.83 0.1 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.62 84.82 0.06 OUTLIER Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.998 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.98 51.91 12.74 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.246 1.018 . . . . 0.0 112.977 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.51 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.7 m-85 . . . . . 0 C--O 1.239 0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.116 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -77.4 0.02 24.09 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -130.15 -70.72 0.62 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -146.81 -44.69 0.18 Allowed 'General case' 0 C--N 1.347 0.466 0 O-C-N 123.873 0.733 . . . . 0.0 110.393 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.434 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -134.76 -170.08 2.48 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.363 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.89 15.92 2.86 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.472 0.482 . . . . 0.0 112.55 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -90.98 -159.56 0.64 Allowed 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.966 0.906 . . . . 0.0 110.087 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -134.69 91.95 0.24 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.005 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.9 mt 74.92 -18.97 0.41 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.522 1.129 . . . . 0.0 111.09 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.9 m-85 . . . . . 0 N--CA 1.474 0.744 0 O-C-N 124.089 0.868 . . . . 0.0 111.74 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.17 -3.22 28.43 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.518 ' OD2' HD12 ' A' ' 11' ' ' LEU . 54.1 m-20 -126.31 -64.17 1.05 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.814 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -148.91 -53.71 0.18 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 124.07 0.856 . . . . 0.0 110.083 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.448 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.6 mmm -138.02 -157.74 0.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.088 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.5 22.98 2.02 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 112.203 -0.359 . . . . 0.0 112.203 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -91.92 -159.12 0.62 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.882 0.873 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.95 88.57 0.18 Allowed Glycine 0 C--N 1.338 0.641 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.75 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.518 HD12 ' OD2' ' A' ' 5' ' ' ASP . 5.4 mp 57.43 43.81 22.47 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.079 0.952 . . . . 0.0 113.241 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.469 0.524 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.308 179.028 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -77.92 -0.15 26.45 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -128.49 -64.27 0.95 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.796 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -145.22 -61.84 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 O-C-N 124.024 0.828 . . . . 0.0 110.29 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -124.43 179.85 4.76 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.175 0.922 . . . . 0.0 111.425 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.58 32.13 3.18 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.796 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.0 -87.78 0.25 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.354 0.661 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.53 86.02 0.06 OUTLIER Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.158 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 55.1 49.76 16.76 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.065 0.946 . . . . 0.0 112.972 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--O 1.24 0.564 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.123 179.266 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.487 1.425 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -78.65 -0.16 28.89 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.85 -73.85 0.36 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.917 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -156.01 96.59 1.73 Allowed 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' PHE . 26.5 mmt 63.87 -170.08 0.19 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.77 0.828 . . . . 0.0 111.035 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.75 12.92 3.35 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 123.38 0.425 . . . . 0.0 112.558 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -86.2 -161.92 0.69 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.921 0.888 . . . . 0.0 110.406 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.39 89.81 0.28 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.55 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 57.37 41.8 25.84 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.225 1.01 . . . . 0.0 113.062 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 1.9 m-85 . . . . . 0 N--CA 1.469 0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.395 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 5' ' ' ASP . 75.0 p . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.763 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 10.0 p-10 44.28 13.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.772 1.229 . . . . 0.0 112.379 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 3' ' ' SER . 9.8 t70 -100.75 -77.24 0.54 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -136.9 -6.44 1.88 Allowed 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.572 0.545 . . . . 0.0 111.62 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.1 mtp -83.19 170.97 14.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.68 0.613 . . . . 0.0 110.921 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.54 20.07 6.53 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.509 0.506 . . . . 0.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.97 177.38 6.09 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.829 0.851 . . . . 0.0 110.889 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.76 92.3 0.15 Allowed Glycine 0 C--N 1.336 0.563 0 O-C-N 123.594 0.559 . . . . 0.0 112.687 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.763 ' H ' ' HB3' ' A' ' 4' ' ' ASP . 5.3 mp 56.27 46.55 20.97 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.217 1.007 . . . . 0.0 113.249 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.468 0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.419 179.008 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 121.366 0.603 . . . . 0.0 109.414 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.58 -66.87 0.75 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.666 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.438 ' OD2' ' HG3' ' A' ' 7' ' ' MET . 8.7 p-10 -147.97 -59.6 0.25 Allowed 'General case' 0 C--O 1.237 0.44 0 O-C-N 124.066 0.854 . . . . 0.0 109.937 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.438 ' HG3' ' OD2' ' A' ' 6' ' ' ASP . 59.8 mtm -118.16 -170.51 1.9 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.29 0.994 . . . . 0.0 110.703 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.93 17.39 2.86 Favored Glycine 0 C--N 1.348 1.247 0 O-C-N 123.55 0.531 . . . . 0.0 112.727 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.52 -159.21 0.65 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.798 0.839 . . . . 0.0 110.063 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -133.7 93.69 0.26 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.2 mt 74.82 -19.08 0.4 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.59 1.156 . . . . 0.0 111.094 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.8 m-85 . . . . . 0 N--CA 1.473 0.686 0 O-C-N 124.074 0.859 . . . . 0.0 111.746 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 p . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.4 1.57 21.64 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -129.36 -63.4 0.94 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.62 -57.87 0.36 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.905 0.753 . . . . 0.0 110.468 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.82 -170.67 2.82 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.268 0.98 . . . . 0.0 110.804 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.52 26.79 3.91 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 123.58 0.55 . . . . 0.0 112.516 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.3 m-85 -89.89 -93.27 0.12 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.489 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.72 84.15 0.06 OUTLIER Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.874 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.81 43.11 25.6 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.053 0.941 . . . . 0.0 112.699 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.458 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 N--CA 1.469 0.504 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.393 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.51 3.08 22.76 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -129.32 -65.06 0.87 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.397 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -147.09 -55.88 0.24 Allowed 'General case' 0 C--N 1.346 0.443 0 O-C-N 123.891 0.744 . . . . 0.0 109.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.449 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 7.6 mmt -127.62 175.78 8.01 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.301 1.0 . . . . 0.0 111.246 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.57 26.72 5.63 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.095 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -89.6 -75.43 0.45 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.529 0.732 . . . . 0.0 111.245 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.97 85.0 0.06 OUTLIER Glycine 0 C--N 1.335 0.498 0 O-C-N 123.54 0.525 . . . . 0.0 112.918 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 57.15 40.98 27.82 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.095 0.958 . . . . 0.0 112.536 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.468 0.463 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.339 179.289 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -78.94 1.66 22.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.32 -64.32 0.9 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.307 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.451 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 p-10 -143.67 -57.96 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.946 0.779 . . . . 0.0 110.664 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.508 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 6.2 mmt -135.28 -173.59 3.38 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 124.307 1.004 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.49 27.8 3.2 Favored Glycine 0 C--N 1.345 1.078 0 O-C-N 123.643 0.589 . . . . 0.0 112.624 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.418 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.6 m-85 -89.21 -94.71 0.1 Allowed 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.449 0.699 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.76 84.67 0.06 OUTLIER Glycine 0 C--N 1.339 0.748 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.89 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.15 47.73 18.9 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.09 0.956 . . . . 0.0 112.875 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.451 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 . . . . . 0 C--O 1.24 0.589 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.13 2.67 23.19 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -138.0 -71.27 0.43 Allowed 'General case' 0 C--N 1.346 0.435 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.177 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.638 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.7 t70 -156.4 86.66 1.01 Allowed 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 63.99 -171.4 0.18 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.892 0.877 . . . . 0.0 111.554 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.53 21.93 5.01 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 123.526 0.516 . . . . 0.0 112.328 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.45 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.1 m-85 -88.36 -102.78 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.674 0.789 . . . . 0.0 110.776 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.04 82.43 0.06 OUTLIER Glycine 0 C--N 1.343 0.928 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.782 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.2 mp 52.99 57.46 6.32 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.103 0.961 . . . . 0.0 112.822 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.638 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.5 m-85 . . . . . 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.298 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.41 3.19 22.11 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -138.46 -72.86 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.21 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.619 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.8 t70 -154.98 84.88 1.08 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 64.25 -166.66 0.22 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.797 0.839 . . . . 0.0 111.245 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.35 23.22 4.82 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.328 0.392 . . . . 0.0 112.239 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.465 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.2 m-85 -88.23 -107.69 0.07 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.539 0.736 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.98 85.07 0.06 OUTLIER Glycine 0 C--N 1.344 0.981 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.968 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 53.33 57.72 5.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.13 0.972 . . . . 0.0 113.085 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.619 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.6 m-85 . . . . . 0 C--O 1.238 0.482 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.122 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.38 -0.52 23.01 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -128.0 -62.62 1.05 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.97 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -146.47 -57.28 0.28 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 124.064 0.852 . . . . 0.0 110.291 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.4 mmm -138.27 -168.42 2.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.356 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.43 25.04 5.21 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 123.496 0.497 . . . . 0.0 112.12 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.1 m-85 -92.9 -101.3 0.13 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.648 0.779 . . . . 0.0 110.676 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' O ' ' HD1' ' A' ' 12' ' ' PHE . . . -178.17 85.31 0.07 OUTLIER Glycine 0 C--N 1.342 0.916 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.659 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt 75.16 -63.98 0.39 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.457 1.103 . . . . 0.0 111.774 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 9' ' ' PHE . 1.8 m-85 . . . . . 0 N--CA 1.489 1.513 0 C-N-CA 124.82 1.248 . . . . 0.0 113.999 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.485 1.282 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.719 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 50.1 mt-10 -126.01 -68.13 0.84 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.931 0.769 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p 55.53 10.82 0.53 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.228 1.011 . . . . 0.0 113.265 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.64 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.3 p-10 -75.92 -1.22 24.45 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 11' ' ' LEU . 52.6 m-20 -129.1 -69.03 0.72 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.207 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -146.19 -48.27 0.2 Allowed 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.991 0.807 . . . . 0.0 110.112 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.417 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -135.3 -167.8 2.07 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.026 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.719 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -73.74 11.5 5.75 Favored Glycine 0 C--N 1.348 1.203 0 O-C-N 123.261 0.351 . . . . 0.0 112.301 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -87.97 -169.05 2.42 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.022 0.929 . . . . 0.0 110.414 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.66 90.57 0.48 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.47 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD12 ' OD2' ' A' ' 5' ' ' ASP . 5.5 mp 59.53 31.06 20.74 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.035 0.934 . . . . 0.0 112.72 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.423 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 2.2 m-85 -81.1 167.09 20.1 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.567 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.206 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.473 ' N ' ' HA3' ' A' ' 8' ' ' GLY . 37.7 tt0 . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.708 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -95.8 -70.05 0.73 Allowed 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.88 0.737 . . . . 0.0 111.455 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 p 53.47 8.44 0.13 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.999 0.919 . . . . 0.0 113.473 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.607 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.6 p-10 -79.92 2.66 22.57 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -129.82 -64.27 0.88 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.262 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.3 p-10 -144.04 -56.87 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.838 0.711 . . . . 0.0 110.612 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt -136.89 -173.82 3.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.708 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.76 27.54 3.36 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.635 0.585 . . . . 0.0 112.574 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.42 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -90.05 -92.35 0.13 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.457 0.703 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.81 83.89 0.06 OUTLIER Glycine 0 C--N 1.339 0.704 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.836 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.22 45.52 23.02 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.107 0.963 . . . . 0.0 112.695 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.435 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -88.8 171.48 9.91 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.314 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.087 -179.844 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.503 ' N ' ' HA3' ' A' ' 8' ' ' GLY . 37.8 tt0 . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.625 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.5 mp0 -94.27 -71.12 0.68 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.922 0.764 . . . . 0.0 111.51 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 p 53.05 8.31 0.1 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.584 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.2 p-10 -80.98 3.38 23.16 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.438 ' OD2' ' HG ' ' A' ' 11' ' ' LEU . 51.5 m-20 -129.56 -64.57 0.88 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.388 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.442 ' OD1' ' HG2' ' A' ' 7' ' ' MET . 9.8 t70 -146.4 -53.88 0.25 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.918 0.761 . . . . 0.0 109.732 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.442 ' HG2' ' OD1' ' A' ' 6' ' ' ASP . 26.5 mmt -134.73 179.9 6.01 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 124.188 0.93 . . . . 0.0 111.191 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.625 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -84.05 26.48 4.88 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.358 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.95 -81.36 0.29 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.411 0.685 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.62 84.93 0.06 OUTLIER Glycine 0 C--N 1.336 0.555 0 O-C-N 123.49 0.494 . . . . 0.0 112.88 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' OD2' ' A' ' 5' ' ' ASP . 5.1 mp 56.04 45.83 22.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.254 1.022 . . . . 0.0 112.745 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -89.52 172.04 9.27 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.225 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.141 -179.827 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -98.91 -45.94 5.8 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.928 0.767 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p 57.51 17.2 3.74 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.338 1.055 . . . . 0.0 112.874 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -74.53 -4.14 35.11 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 55.1 m-20 -126.02 -62.12 1.19 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.991 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -153.24 -50.8 0.1 Allowed 'General case' 0 C--N 1.347 0.478 0 O-C-N 124.101 0.875 . . . . 0.0 109.136 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.408 ' HB2' ' CD1' ' A' ' 9' ' ' PHE . 26.5 mmt -135.1 -14.26 2.05 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.378 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 9.97 19.5 Favored Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.176 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 7' ' ' MET . 1.4 m-85 -83.46 -78.74 0.21 Allowed 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.589 0.756 . . . . 0.0 111.29 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.94 77.3 0.06 OUTLIER Glycine 0 C--N 1.334 0.456 0 O-C-N 123.549 0.531 . . . . 0.0 112.772 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 5.3 mp 53.15 58.13 5.6 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.987 0.915 . . . . 0.0 112.688 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -95.46 172.21 8.22 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.218 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.216 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.73 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -95.18 -68.74 0.79 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.93 0.769 . . . . 0.0 111.418 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p 53.31 8.69 0.12 Allowed 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.617 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.9 p-10 -79.62 2.33 22.84 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -129.75 -64.01 0.9 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.283 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 p-10 -143.95 -57.42 0.38 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 123.952 0.783 . . . . 0.0 110.585 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -136.91 -173.51 3.47 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.73 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.49 26.6 3.48 Favored Glycine 0 C--N 1.345 1.072 0 O-C-N 123.62 0.575 . . . . 0.0 112.622 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.54 -92.45 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.39 0.676 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.49 83.79 0.06 OUTLIER Glycine 0 C--N 1.339 0.697 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.986 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 56.22 45.51 23.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.997 0.919 . . . . 0.0 112.768 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -88.79 171.09 10.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.308 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.15 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.74 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -117.34 -68.0 0.95 Allowed 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.962 0.789 . . . . 0.0 111.242 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p 54.0 9.7 0.23 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.087 0.955 . . . . 0.0 113.362 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.646 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.3 p-10 -77.9 0.97 22.06 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -129.11 -63.41 0.95 Allowed 'General case' 0 C--O 1.236 0.39 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.047 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.713 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.9 p-10 -144.31 -58.21 0.37 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.028 0.83 . . . . 0.0 110.515 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.99 -169.51 2.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.701 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.74 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.55 27.33 3.32 Favored Glycine 0 C--N 1.346 1.108 0 O-C-N 123.518 0.511 . . . . 0.0 112.589 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.4 -97.69 0.1 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.465 0.706 . . . . 0.0 110.988 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.25 85.22 0.06 OUTLIER Glycine 0 C--N 1.341 0.849 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.892 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 55.92 48.42 18.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.216 1.006 . . . . 0.0 112.922 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.507 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -90.77 6.56 43.69 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.713 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.8 t70 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.302 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.748 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -117.65 -68.31 0.93 Allowed 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.906 0.754 . . . . 0.0 111.277 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p 53.81 9.36 0.19 Allowed 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.063 0.945 . . . . 0.0 113.402 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.646 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.2 p-10 -78.34 1.3 22.35 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.21 -62.92 0.97 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.135 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.488 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.52 -58.49 0.37 Allowed 'General case' 0 C--N 1.346 0.446 0 O-C-N 123.957 0.786 . . . . 0.0 110.502 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.7 mmm -138.08 -170.37 2.78 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.259 0.975 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.748 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -82.14 25.21 4.31 Favored Glycine 0 C--N 1.344 1.006 0 O-C-N 123.648 0.592 . . . . 0.0 112.462 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.2 m-85 -90.37 -93.23 0.13 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.604 0.762 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.2 84.16 0.06 OUTLIER Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.775 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 56.25 45.04 23.87 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.241 1.017 . . . . 0.0 112.735 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -88.91 169.71 11.33 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.352 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.208 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.416 ' HG3' ' HA3' ' A' ' 8' ' ' GLY . 37.9 tt0 . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.752 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -95.92 -68.0 0.82 Allowed 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.909 0.755 . . . . 0.0 111.312 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 p 53.76 8.97 0.17 Allowed 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.647 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.1 p-10 -78.66 1.57 22.4 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -129.21 -63.84 0.93 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.193 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.9 p-10 -143.96 -57.79 0.39 Allowed 'General case' 0 C--O 1.237 0.423 0 O-C-N 124.014 0.821 . . . . 0.0 110.564 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.36 -171.6 3.01 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 124.317 1.011 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.752 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.07 27.26 3.12 Favored Glycine 0 C--N 1.345 1.073 0 O-C-N 123.661 0.601 . . . . 0.0 112.68 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.411 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.4 m-85 -89.32 -96.83 0.1 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.487 0.715 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.62 84.82 0.06 OUTLIER Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.998 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.98 51.91 12.74 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.246 1.018 . . . . 0.0 112.977 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.7 m-85 -93.12 5.82 50.14 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.116 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.718 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 38.0 t70 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.304 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.75 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 53.0 mm-40 -126.92 -71.06 0.69 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.964 0.79 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p 55.05 9.25 0.3 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.207 1.003 . . . . 0.0 113.279 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.617 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.6 p-10 -77.4 0.02 24.09 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -130.15 -70.72 0.62 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' OD2' ' HA ' ' A' ' 13' ' ' ASP . 8.9 p-10 -146.81 -44.69 0.18 Allowed 'General case' 0 C--N 1.347 0.466 0 O-C-N 123.873 0.733 . . . . 0.0 110.393 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.434 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.5 mmm -134.76 -170.08 2.48 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.363 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.75 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -73.89 15.92 2.86 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.472 0.482 . . . . 0.0 112.55 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -90.98 -159.56 0.64 Allowed 'General case' 0 C--O 1.236 0.377 0 C-N-CA 123.966 0.906 . . . . 0.0 110.087 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -134.69 91.95 0.24 Allowed Glycine 0 C--N 1.338 0.659 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.005 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.9 mt 74.92 -18.97 0.41 Allowed 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 124.522 1.129 . . . . 0.0 111.09 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.9 m-85 -68.91 127.77 34.29 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.089 0.868 . . . . 0.0 111.74 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.435 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 38.0 t70 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.212 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.621 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 9.4 mp0 -106.87 -72.11 0.73 Allowed 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.973 0.795 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p 54.77 12.15 0.55 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.967 0.907 . . . . 0.0 112.936 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.621 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.6 p-10 -74.17 -3.22 28.43 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.518 ' OD2' HD12 ' A' ' 11' ' ' LEU . 54.1 m-20 -126.31 -64.17 1.05 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.814 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -148.91 -53.71 0.18 Allowed 'General case' 0 C--N 1.346 0.453 0 O-C-N 124.07 0.856 . . . . 0.0 110.083 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.448 ' C ' ' H ' ' A' ' 9' ' ' PHE . 98.6 mmm -138.02 -157.74 0.8 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.088 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.5 22.98 2.02 Favored Glycine 0 C--N 1.347 1.179 0 N-CA-C 112.203 -0.359 . . . . 0.0 112.203 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -91.92 -159.12 0.62 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.882 0.873 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.95 88.57 0.18 Allowed Glycine 0 C--N 1.338 0.641 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.75 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.518 HD12 ' OD2' ' A' ' 5' ' ' ASP . 5.4 mp 57.43 43.81 22.47 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.079 0.952 . . . . 0.0 113.241 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -89.5 -10.79 44.96 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.308 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.158 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.674 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -116.45 -75.56 0.58 Allowed 'General case' 0 C--O 1.236 0.357 0 O-C-N 124.002 0.813 . . . . 0.0 111.598 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p 52.59 9.31 0.11 Allowed 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.534 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.0 p-10 -77.92 -0.15 26.45 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -128.49 -64.27 0.95 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.796 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.6 p-10 -145.22 -61.84 0.35 Allowed 'General case' 0 C--N 1.345 0.398 0 O-C-N 124.024 0.828 . . . . 0.0 110.29 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 38.2 mtt -124.43 179.85 4.76 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.175 0.922 . . . . 0.0 111.425 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.674 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -83.58 32.13 3.18 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.796 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.0 -87.78 0.25 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.354 0.661 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.53 86.02 0.06 OUTLIER Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.158 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 55.1 49.76 16.76 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.065 0.946 . . . . 0.0 112.972 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -91.65 8.62 35.96 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.123 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.8 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.284 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.303 0.097 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.787 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 5.7 mm-40 -127.19 -73.16 0.62 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.923 0.764 . . . . 0.0 110.731 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p 56.47 1.81 0.08 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.579 1.152 . . . . 0.0 113.545 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 9.0 p-10 -78.65 -0.16 28.89 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -139.85 -73.85 0.36 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.917 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -156.01 96.59 1.73 Allowed 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' PHE . 26.5 mmt 63.87 -170.08 0.19 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.77 0.828 . . . . 0.0 111.035 -178.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.787 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -72.75 12.92 3.35 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 123.38 0.425 . . . . 0.0 112.558 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -86.2 -161.92 0.69 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.921 0.888 . . . . 0.0 110.406 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -131.39 89.81 0.28 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.55 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.1 mp 57.37 41.8 25.84 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.225 1.01 . . . . 0.0 113.062 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CD2' ' HD2' ' A' ' 9' ' ' PHE . 1.9 m-85 -87.85 167.91 13.37 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.395 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.174 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.487 ' HB3' ' OE2' ' A' ' 2' ' ' GLU . 37.8 tt0 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 1' ' ' GLU . 8.4 mp0 -112.73 -41.76 3.74 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 123.93 0.768 . . . . 0.0 110.811 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 5' ' ' ASP . 75.0 p 55.36 167.47 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.519 1.127 . . . . 0.0 112.826 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.763 ' HB3' ' H ' ' A' ' 11' ' ' LEU . 10.0 p-10 44.28 13.08 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.772 1.229 . . . . 0.0 112.379 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 3' ' ' SER . 9.8 t70 -100.75 -77.24 0.54 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.773 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -136.9 -6.44 1.88 Allowed 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.572 0.545 . . . . 0.0 111.62 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 80.1 mtp -83.19 170.97 14.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.68 0.613 . . . . 0.0 110.921 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.54 20.07 6.53 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.509 0.506 . . . . 0.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.97 177.38 6.09 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.829 0.851 . . . . 0.0 110.889 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.76 92.3 0.15 Allowed Glycine 0 C--N 1.336 0.563 0 O-C-N 123.594 0.559 . . . . 0.0 112.687 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.763 ' H ' ' HB3' ' A' ' 4' ' ' ASP . 5.3 mp 56.27 46.55 20.97 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.217 1.007 . . . . 0.0 113.249 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -90.49 168.97 11.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.419 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.161 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.753 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 53.4 mm-40 -130.12 -70.35 0.63 Allowed 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.897 0.748 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p 54.56 10.05 0.31 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.986 0.915 . . . . 0.0 113.227 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.637 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.8 p-10 -75.84 -1.65 26.26 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 121.366 0.603 . . . . 0.0 109.414 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.58 -66.87 0.75 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.666 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 13' ' ' ASP . 8.7 p-10 -147.97 -59.6 0.25 Allowed 'General case' 0 C--O 1.237 0.44 0 O-C-N 124.066 0.854 . . . . 0.0 109.937 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.438 ' HG3' ' OD2' ' A' ' 6' ' ' ASP . 59.8 mtm -118.16 -170.51 1.9 Allowed 'General case' 0 C--O 1.233 0.228 0 O-C-N 124.29 0.994 . . . . 0.0 110.703 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.753 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -74.93 17.39 2.86 Favored Glycine 0 C--N 1.348 1.247 0 O-C-N 123.55 0.531 . . . . 0.0 112.727 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -92.52 -159.21 0.65 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.798 0.839 . . . . 0.0 110.063 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 12' ' ' PHE . . . -133.7 93.69 0.26 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.2 mt 74.82 -19.08 0.4 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.59 1.156 . . . . 0.0 111.094 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 10' ' ' GLY . 1.8 m-85 -69.68 127.9 34.57 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 124.074 0.859 . . . . 0.0 111.746 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.47 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 38.0 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.197 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.739 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.4 mp0 -117.57 -68.64 0.9 Allowed 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.947 0.78 . . . . 0.0 111.184 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 p 53.81 9.51 0.2 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 124.09 0.956 . . . . 0.0 113.391 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.648 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.2 p-10 -78.4 1.57 21.64 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -129.36 -63.4 0.94 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.095 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 12' ' ' PHE . 9.1 p-10 -144.62 -57.87 0.36 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.905 0.753 . . . . 0.0 110.468 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.6 mmm -137.82 -170.67 2.82 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.268 0.98 . . . . 0.0 110.804 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.739 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -82.52 26.79 3.91 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 123.58 0.55 . . . . 0.0 112.516 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.3 m-85 -89.89 -93.27 0.12 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.489 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.72 84.15 0.06 OUTLIER Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.874 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.81 43.11 25.6 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.053 0.941 . . . . 0.0 112.699 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -87.45 171.32 10.64 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.393 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 124.416 1.086 . . . . 0.0 111.344 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.465 ' HG3' ' HA3' ' A' ' 8' ' ' GLY . 37.9 tt0 . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.58 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 8.7 mp0 -93.69 -72.27 0.62 Allowed 'General case' 0 C--O 1.236 0.395 0 O-C-N 123.902 0.751 . . . . 0.0 111.525 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p 53.32 8.71 0.13 Allowed 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.58 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.2 p-10 -80.51 3.08 22.76 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -129.32 -65.06 0.87 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.397 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -147.09 -55.88 0.24 Allowed 'General case' 0 C--N 1.346 0.443 0 O-C-N 123.891 0.744 . . . . 0.0 109.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.449 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 7.6 mmt -127.62 175.78 8.01 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.301 1.0 . . . . 0.0 111.246 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.553 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -85.57 26.72 5.63 Favored Glycine 0 C--N 1.343 0.927 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.095 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -89.6 -75.43 0.45 Allowed 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.529 0.732 . . . . 0.0 111.245 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.97 85.0 0.06 OUTLIER Glycine 0 C--N 1.335 0.498 0 O-C-N 123.54 0.525 . . . . 0.0 112.918 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 57.15 40.98 27.82 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.095 0.958 . . . . 0.0 112.536 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -86.19 171.99 10.87 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.339 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.213 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.47 ' N ' ' HA3' ' A' ' 8' ' ' GLY . 37.6 tt0 . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.698 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.5 mp0 -95.87 -70.1 0.73 Allowed 'General case' 0 C--O 1.237 0.399 0 O-C-N 123.877 0.736 . . . . 0.0 111.417 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 p 53.74 8.87 0.16 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.062 0.945 . . . . 0.0 113.358 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.627 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 10.8 p-10 -78.94 1.66 22.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -129.32 -64.32 0.9 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.307 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.6 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 8.9 p-10 -143.67 -57.96 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 O-C-N 123.946 0.779 . . . . 0.0 110.664 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.508 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 6.2 mmt -135.28 -173.59 3.38 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 124.307 1.004 . . . . 0.0 110.934 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.698 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.49 27.8 3.2 Favored Glycine 0 C--N 1.345 1.078 0 O-C-N 123.643 0.589 . . . . 0.0 112.624 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.418 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.6 m-85 -89.21 -94.71 0.1 Allowed 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.449 0.699 . . . . 0.0 110.966 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.76 84.67 0.06 OUTLIER Glycine 0 C--N 1.339 0.748 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.89 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.4 mp 56.15 47.73 18.9 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.09 0.956 . . . . 0.0 112.875 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . 1.8 m-85 -90.25 8.72 31.77 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.046 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.9 t70 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.297 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.791 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.3 mp0 -98.07 -65.78 0.94 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.93 0.769 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p 55.43 1.69 0.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.458 1.103 . . . . 0.0 113.847 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.578 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 9.7 p-10 -80.13 2.67 23.19 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -138.0 -71.27 0.43 Allowed 'General case' 0 C--N 1.346 0.435 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.177 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.638 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.7 t70 -156.4 86.66 1.01 Allowed 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 63.99 -171.4 0.18 Allowed 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.892 0.877 . . . . 0.0 111.554 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.791 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -80.53 21.93 5.01 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 123.526 0.516 . . . . 0.0 112.328 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 1.1 m-85 -88.36 -102.78 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.674 0.789 . . . . 0.0 110.776 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.04 82.43 0.06 OUTLIER Glycine 0 C--N 1.343 0.928 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.782 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.2 mp 52.99 57.46 6.32 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.103 0.961 . . . . 0.0 112.822 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.638 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.5 m-85 -95.28 172.39 8.13 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.298 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.171 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.488 ' H3 ' ' HA3' ' A' ' 8' ' ' GLY . 37.9 tt0 . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.615 ' H ' ' HA2' ' A' ' 8' ' ' GLY . 8.5 mp0 -98.48 -67.44 0.85 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.929 0.768 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p 55.61 2.81 0.07 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.43 1.092 . . . . 0.0 113.791 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.566 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 9.7 p-10 -80.41 3.19 22.11 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -138.46 -72.86 0.4 Allowed 'General case' 0 C--N 1.346 0.441 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.21 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.619 ' HB3' ' H ' ' A' ' 12' ' ' PHE . 9.8 t70 -154.98 84.88 1.08 Allowed 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 mmt 64.25 -166.66 0.22 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.797 0.839 . . . . 0.0 111.245 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.615 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -81.35 23.22 4.82 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 123.328 0.392 . . . . 0.0 112.239 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.465 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.2 m-85 -88.23 -107.69 0.07 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.539 0.736 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.98 85.07 0.06 OUTLIER Glycine 0 C--N 1.344 0.981 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.968 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.3 mp 53.33 57.72 5.94 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.13 0.972 . . . . 0.0 113.085 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.619 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 1.6 m-85 -96.33 3.07 53.21 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.122 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.557 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 37.8 t70 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.265 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.66 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 8.6 mp0 -114.34 -68.05 0.95 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.951 0.782 . . . . 0.0 111.211 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 p 54.45 11.56 0.43 Allowed 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.979 0.912 . . . . 0.0 113.13 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.66 ' OD1' ' HB3' ' A' ' 2' ' ' GLU . 11.4 p-10 -76.38 -0.52 23.01 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -128.0 -62.62 1.05 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.97 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.454 ' HB3' ' OXT' ' A' ' 13' ' ' ASP . 9.8 p-10 -146.47 -57.28 0.28 Allowed 'General case' 0 C--N 1.347 0.464 0 O-C-N 124.064 0.852 . . . . 0.0 110.291 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 98.4 mmm -138.27 -168.42 2.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.356 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' HA2' ' H ' ' A' ' 2' ' ' GLU . . . -83.43 25.04 5.21 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 123.496 0.497 . . . . 0.0 112.12 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HB3' ' CE1' ' A' ' 12' ' ' PHE . 1.1 m-85 -92.9 -101.3 0.13 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.648 0.779 . . . . 0.0 110.676 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' O ' ' HD1' ' A' ' 12' ' ' PHE . . . -178.17 85.31 0.07 OUTLIER Glycine 0 C--N 1.342 0.916 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.659 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' ASP . 62.5 mt 75.16 -63.98 0.39 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.457 1.103 . . . . 0.0 111.774 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 9' ' ' PHE . 1.8 m-85 31.42 -80.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.82 1.248 . . . . 0.0 113.999 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' OXT' ' HB3' ' A' ' 6' ' ' ASP . 37.9 t70 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.218 -179.88 . . . . . . . . 1 1 . 1 stop_ save_